USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=29 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 117 SER OG : rot -17:sc= 0.657 USER MOD Set 1.2: A 121 TYR OH : rot 30:sc= 1.21 USER MOD Single : A 1 SER N :NH3+ -175:sc= -0.162 (180deg=-0.215) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -171:sc= -0.121 (180deg=-0.294) USER MOD Single : A 9 ASN : amide:sc= 0.0533 K(o=0.053,f=-4.1!) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 41:sc= 0.192 USER MOD Single : A 19 HIS : no HD1:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -32:sc= 0.312 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot -110:sc= 0.0265! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -11:sc= 0.841 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.18) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0977 X(o=-0.098,f=-0.098) USER MOD Single : A 71 LYS NZ :NH3+ -145:sc= -0.569 (180deg=-2.63!) USER MOD Single : A 72 SER OG : rot -170:sc= 0.275! USER MOD Single : A 74 THR OG1 : rot 80:sc= 0 USER MOD Single : A 80 SER OG : rot 33:sc= 1.26 USER MOD Single : A 83 GLN : amide:sc= -0.0487 K(o=-0.049,f=-0.96) USER MOD Single : A 84 LYS NZ :NH3+ 136:sc= -2.24 (180deg=-4.07!) USER MOD Single : A 85 ASN : amide:sc= 0.0294 K(o=0.029,f=-0.84) USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= -3.32 (180deg=-3.36) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.0202 K(o=-0.02,f=-1.4) USER MOD Single : A 98 MET CE :methyl -147:sc= -0.125 (180deg=-1.4) USER MOD Single : A 100 HIS :FLIP no HD1:sc= -0.784 F(o=-1.8,f=-0.78) USER MOD Single : A 105 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=0.0032) USER MOD Single : A 108 THR OG1 : rot -80:sc= 1.04 USER MOD Single : A 109 ASN : amide:sc= -0.0238 K(o=-0.024,f=-1.4!) USER MOD Single : A 110 TYR OH : rot 130:sc= -0.746 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 170:sc= -0.0102 (180deg=-0.122) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.585 13.166 -21.226 1.00 0.00 N ATOM 2 CA SER A 1 5.999 11.931 -20.505 1.00 0.00 C ATOM 3 C SER A 1 5.227 11.783 -19.197 1.00 0.00 C ATOM 4 O SER A 1 5.293 10.741 -18.543 1.00 0.00 O ATOM 5 CB SER A 1 7.500 11.977 -20.221 1.00 0.00 C ATOM 6 OG SER A 1 8.083 13.114 -20.828 1.00 0.00 O ATOM 0 H1 SER A 1 6.059 13.204 -22.151 1.00 0.00 H new ATOM 0 H2 SER A 1 4.554 13.158 -21.365 1.00 0.00 H new ATOM 0 H3 SER A 1 5.852 14.001 -20.666 1.00 0.00 H new ATOM 0 HA SER A 1 5.775 11.070 -21.135 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.672 12.003 -19.145 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.976 11.072 -20.598 1.00 0.00 H new ATOM 0 HG SER A 1 9.044 13.131 -20.636 1.00 0.00 H new ATOM 14 N GLU A 2 4.492 12.838 -18.837 1.00 0.00 N ATOM 15 CA GLU A 2 3.689 12.870 -17.608 1.00 0.00 C ATOM 16 C GLU A 2 4.556 12.699 -16.357 1.00 0.00 C ATOM 17 O GLU A 2 4.174 12.006 -15.415 1.00 0.00 O ATOM 18 CB GLU A 2 2.601 11.789 -17.645 1.00 0.00 C ATOM 19 CG GLU A 2 1.495 12.065 -18.654 1.00 0.00 C ATOM 20 CD GLU A 2 0.545 10.894 -18.817 1.00 0.00 C ATOM 21 OE1 GLU A 2 0.897 9.777 -18.380 1.00 0.00 O ATOM 22 OE2 GLU A 2 -0.550 11.096 -19.378 1.00 0.00 O ATOM 0 H GLU A 2 4.435 13.695 -19.388 1.00 0.00 H new ATOM 0 HA GLU A 2 3.216 13.851 -17.556 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.063 10.830 -17.879 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.160 11.696 -16.653 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.932 12.943 -18.338 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.941 12.303 -19.620 1.00 0.00 H new ATOM 29 N PHE A 3 5.720 13.340 -16.357 1.00 0.00 N ATOM 30 CA PHE A 3 6.634 13.268 -15.223 1.00 0.00 C ATOM 31 C PHE A 3 6.757 14.625 -14.537 1.00 0.00 C ATOM 32 O PHE A 3 6.653 15.668 -15.184 1.00 0.00 O ATOM 33 CB PHE A 3 8.017 12.778 -15.662 1.00 0.00 C ATOM 34 CG PHE A 3 8.193 11.287 -15.566 1.00 0.00 C ATOM 35 CD1 PHE A 3 7.650 10.444 -16.521 1.00 0.00 C ATOM 36 CD2 PHE A 3 8.910 10.730 -14.518 1.00 0.00 C ATOM 37 CE1 PHE A 3 7.816 9.074 -16.433 1.00 0.00 C ATOM 38 CE2 PHE A 3 9.079 9.363 -14.425 1.00 0.00 C ATOM 39 CZ PHE A 3 8.531 8.533 -15.383 1.00 0.00 C ATOM 0 H PHE A 3 6.053 13.916 -17.130 1.00 0.00 H new ATOM 0 HA PHE A 3 6.221 12.552 -14.512 1.00 0.00 H new ATOM 0 HB2 PHE A 3 8.192 13.089 -16.692 1.00 0.00 H new ATOM 0 HB3 PHE A 3 8.776 13.264 -15.049 1.00 0.00 H new ATOM 0 HD1 PHE A 3 7.090 10.862 -17.345 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.341 11.373 -13.765 1.00 0.00 H new ATOM 0 HE1 PHE A 3 7.387 8.428 -17.185 1.00 0.00 H new ATOM 0 HE2 PHE A 3 9.640 8.943 -13.603 1.00 0.00 H new ATOM 0 HZ PHE A 3 8.661 7.463 -15.311 1.00 0.00 H new ATOM 49 N GLY A 4 6.980 14.603 -13.230 1.00 0.00 N ATOM 50 CA GLY A 4 7.114 15.833 -12.473 1.00 0.00 C ATOM 51 C GLY A 4 7.820 15.607 -11.153 1.00 0.00 C ATOM 52 O GLY A 4 8.108 14.465 -10.790 1.00 0.00 O ATOM 0 H GLY A 4 7.071 13.751 -12.677 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.669 16.563 -13.062 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.126 16.256 -12.289 1.00 0.00 H new ATOM 56 N SER A 5 8.104 16.684 -10.431 1.00 0.00 N ATOM 57 CA SER A 5 8.787 16.580 -9.149 1.00 0.00 C ATOM 58 C SER A 5 7.812 16.771 -7.992 1.00 0.00 C ATOM 59 O SER A 5 7.129 17.793 -7.905 1.00 0.00 O ATOM 60 CB SER A 5 9.910 17.614 -9.062 1.00 0.00 C ATOM 61 OG SER A 5 10.865 17.419 -10.091 1.00 0.00 O ATOM 0 H SER A 5 7.872 17.637 -10.711 1.00 0.00 H new ATOM 0 HA SER A 5 9.215 15.580 -9.075 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.491 18.617 -9.136 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.399 17.544 -8.090 1.00 0.00 H new ATOM 0 HG SER A 5 11.571 18.094 -10.014 1.00 0.00 H new ATOM 67 N MET A 6 7.758 15.782 -7.104 1.00 0.00 N ATOM 68 CA MET A 6 6.872 15.827 -5.947 1.00 0.00 C ATOM 69 C MET A 6 7.599 15.343 -4.695 1.00 0.00 C ATOM 70 O MET A 6 8.589 14.617 -4.785 1.00 0.00 O ATOM 71 CB MET A 6 5.616 14.982 -6.184 1.00 0.00 C ATOM 72 CG MET A 6 4.680 15.558 -7.239 1.00 0.00 C ATOM 73 SD MET A 6 3.099 14.696 -7.317 1.00 0.00 S ATOM 74 CE MET A 6 3.588 13.150 -8.073 1.00 0.00 C ATOM 0 H MET A 6 8.322 14.934 -7.166 1.00 0.00 H new ATOM 0 HA MET A 6 6.568 16.863 -5.799 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.916 13.978 -6.486 1.00 0.00 H new ATOM 0 HB3 MET A 6 5.073 14.883 -5.244 1.00 0.00 H new ATOM 0 HG2 MET A 6 4.504 16.612 -7.025 1.00 0.00 H new ATOM 0 HG3 MET A 6 5.164 15.508 -8.214 1.00 0.00 H new ATOM 0 HE1 MET A 6 2.699 12.575 -8.333 1.00 0.00 H new ATOM 0 HE2 MET A 6 4.166 13.353 -8.975 1.00 0.00 H new ATOM 0 HE3 MET A 6 4.197 12.579 -7.372 1.00 0.00 H new ATOM 84 N ALA A 7 7.105 15.751 -3.530 1.00 0.00 N ATOM 85 CA ALA A 7 7.704 15.359 -2.261 1.00 0.00 C ATOM 86 C ALA A 7 6.623 15.025 -1.238 1.00 0.00 C ATOM 87 O ALA A 7 5.504 15.533 -1.322 1.00 0.00 O ATOM 88 CB ALA A 7 8.608 16.466 -1.735 1.00 0.00 C ATOM 0 H ALA A 7 6.288 16.355 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 7 8.308 14.467 -2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.047 16.157 -0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.402 16.661 -2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.023 17.373 -1.585 1.00 0.00 H new ATOM 94 N GLY A 8 6.961 14.176 -0.274 1.00 0.00 N ATOM 95 CA GLY A 8 5.999 13.790 0.741 1.00 0.00 C ATOM 96 C GLY A 8 6.545 13.938 2.146 1.00 0.00 C ATOM 97 O GLY A 8 7.758 13.938 2.352 1.00 0.00 O ATOM 0 H GLY A 8 7.882 13.749 -0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.102 14.401 0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.700 12.754 0.578 1.00 0.00 H new ATOM 101 N ASN A 9 5.645 14.077 3.114 1.00 0.00 N ATOM 102 CA ASN A 9 6.036 14.235 4.514 1.00 0.00 C ATOM 103 C ASN A 9 5.478 13.104 5.380 1.00 0.00 C ATOM 104 O ASN A 9 5.389 13.232 6.602 1.00 0.00 O ATOM 105 CB ASN A 9 5.558 15.592 5.050 1.00 0.00 C ATOM 106 CG ASN A 9 4.041 15.710 5.116 1.00 0.00 C ATOM 107 OD1 ASN A 9 3.313 14.996 4.424 1.00 0.00 O ATOM 108 ND2 ASN A 9 3.556 16.620 5.950 1.00 0.00 N ATOM 0 H ASN A 9 4.637 14.084 2.956 1.00 0.00 H new ATOM 0 HA ASN A 9 7.124 14.193 4.563 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.972 15.748 6.046 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.950 16.385 4.414 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.548 16.748 6.035 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.191 17.192 6.506 1.00 0.00 H new ATOM 115 N CYS A 10 5.108 11.998 4.747 1.00 0.00 N ATOM 116 CA CYS A 10 4.546 10.862 5.471 1.00 0.00 C ATOM 117 C CYS A 10 5.586 9.764 5.678 1.00 0.00 C ATOM 118 O CYS A 10 6.264 9.349 4.738 1.00 0.00 O ATOM 119 CB CYS A 10 3.342 10.301 4.713 1.00 0.00 C ATOM 120 SG CYS A 10 1.991 11.486 4.497 1.00 0.00 S ATOM 0 H CYS A 10 5.186 11.862 3.739 1.00 0.00 H new ATOM 0 HA CYS A 10 4.226 11.215 6.452 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.671 9.958 3.732 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.964 9.428 5.246 1.00 0.00 H new ATOM 0 HG CYS A 10 1.019 10.922 3.843 1.00 0.00 H new ATOM 126 N GLY A 11 5.709 9.304 6.921 1.00 0.00 N ATOM 127 CA GLY A 11 6.658 8.251 7.239 1.00 0.00 C ATOM 128 C GLY A 11 6.023 6.873 7.207 1.00 0.00 C ATOM 129 O GLY A 11 4.849 6.733 6.867 1.00 0.00 O ATOM 0 H GLY A 11 5.166 9.643 7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.485 8.284 6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.079 8.431 8.228 1.00 0.00 H new ATOM 133 N ALA A 12 6.794 5.855 7.579 1.00 0.00 N ATOM 134 CA ALA A 12 6.297 4.484 7.585 1.00 0.00 C ATOM 135 C ALA A 12 6.665 3.780 8.887 1.00 0.00 C ATOM 136 O ALA A 12 7.714 4.048 9.474 1.00 0.00 O ATOM 137 CB ALA A 12 6.849 3.713 6.393 1.00 0.00 C ATOM 0 H ALA A 12 7.764 5.954 7.880 1.00 0.00 H new ATOM 0 HA ALA A 12 5.210 4.516 7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.468 2.692 6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.536 4.199 5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.938 3.695 6.444 1.00 0.00 H new ATOM 143 N ARG A 13 5.794 2.880 9.337 1.00 0.00 N ATOM 144 CA ARG A 13 6.023 2.140 10.573 1.00 0.00 C ATOM 145 C ARG A 13 6.903 0.916 10.323 1.00 0.00 C ATOM 146 O ARG A 13 6.596 0.078 9.474 1.00 0.00 O ATOM 147 CB ARG A 13 4.688 1.710 11.197 1.00 0.00 C ATOM 148 CG ARG A 13 3.630 1.293 10.181 1.00 0.00 C ATOM 149 CD ARG A 13 2.668 2.430 9.869 1.00 0.00 C ATOM 150 NE ARG A 13 1.986 2.920 11.064 1.00 0.00 N ATOM 151 CZ ARG A 13 1.164 3.968 11.067 1.00 0.00 C ATOM 152 NH1 ARG A 13 0.598 4.365 12.198 1.00 0.00 N ATOM 153 NH2 ARG A 13 0.907 4.614 9.936 1.00 0.00 N ATOM 0 H ARG A 13 4.922 2.646 8.862 1.00 0.00 H new ATOM 0 HA ARG A 13 6.542 2.800 11.268 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.869 0.879 11.878 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.297 2.533 11.795 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.117 0.966 9.262 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.072 0.440 10.567 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.216 3.250 9.404 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.928 2.089 9.145 1.00 0.00 H new ATOM 0 HE ARG A 13 2.148 2.433 11.945 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.792 3.868 13.067 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.031 5.168 12.199 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.339 4.308 9.064 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.277 5.417 9.939 1.00 0.00 H new ATOM 167 N GLY A 14 8.003 0.820 11.066 1.00 0.00 N ATOM 168 CA GLY A 14 8.906 -0.305 10.907 1.00 0.00 C ATOM 169 C GLY A 14 8.994 -1.181 12.145 1.00 0.00 C ATOM 170 O GLY A 14 9.839 -2.072 12.215 1.00 0.00 O ATOM 0 H GLY A 14 8.284 1.500 11.773 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.576 -0.911 10.063 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.901 0.067 10.662 1.00 0.00 H new ATOM 174 N ALA A 15 8.129 -0.932 13.123 1.00 0.00 N ATOM 175 CA ALA A 15 8.141 -1.713 14.358 1.00 0.00 C ATOM 176 C ALA A 15 6.832 -2.476 14.559 1.00 0.00 C ATOM 177 O ALA A 15 6.808 -3.705 14.519 1.00 0.00 O ATOM 178 CB ALA A 15 8.415 -0.809 15.553 1.00 0.00 C ATOM 0 H ALA A 15 7.417 -0.203 13.087 1.00 0.00 H new ATOM 0 HA ALA A 15 8.942 -2.448 14.275 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.421 -1.405 16.466 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.384 -0.325 15.429 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.636 -0.049 15.621 1.00 0.00 H new ATOM 184 N LEU A 16 5.747 -1.740 14.773 1.00 0.00 N ATOM 185 CA LEU A 16 4.439 -2.353 14.986 1.00 0.00 C ATOM 186 C LEU A 16 3.535 -2.123 13.784 1.00 0.00 C ATOM 187 O LEU A 16 3.587 -1.066 13.153 1.00 0.00 O ATOM 188 CB LEU A 16 3.783 -1.788 16.249 1.00 0.00 C ATOM 189 CG LEU A 16 4.577 -1.985 17.545 1.00 0.00 C ATOM 190 CD1 LEU A 16 3.862 -1.325 18.715 1.00 0.00 C ATOM 191 CD2 LEU A 16 4.791 -3.467 17.824 1.00 0.00 C ATOM 0 H LEU A 16 5.746 -0.720 14.804 1.00 0.00 H new ATOM 0 HA LEU A 16 4.584 -3.426 15.113 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.615 -0.721 16.104 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.804 -2.252 16.368 1.00 0.00 H new ATOM 0 HG LEU A 16 5.552 -1.513 17.423 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.440 -1.475 19.627 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.759 -0.257 18.523 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.874 -1.769 18.835 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.357 -3.585 18.748 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.825 -3.962 17.924 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.345 -3.916 17.000 1.00 0.00 H new ATOM 203 N SER A 17 2.708 -3.112 13.464 1.00 0.00 N ATOM 204 CA SER A 17 1.803 -3.002 12.329 1.00 0.00 C ATOM 205 C SER A 17 0.462 -2.402 12.745 1.00 0.00 C ATOM 206 O SER A 17 -0.325 -3.038 13.446 1.00 0.00 O ATOM 207 CB SER A 17 1.582 -4.386 11.716 1.00 0.00 C ATOM 208 OG SER A 17 1.305 -5.348 12.720 1.00 0.00 O ATOM 0 H SER A 17 2.646 -3.994 13.972 1.00 0.00 H new ATOM 0 HA SER A 17 2.256 -2.338 11.593 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.755 -4.346 11.008 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.468 -4.685 11.155 1.00 0.00 H new ATOM 0 HG SER A 17 0.700 -4.961 13.386 1.00 0.00 H new ATOM 214 N ALA A 18 0.209 -1.173 12.305 1.00 0.00 N ATOM 215 CA ALA A 18 -1.047 -0.490 12.605 1.00 0.00 C ATOM 216 C ALA A 18 -2.087 -0.752 11.520 1.00 0.00 C ATOM 217 O ALA A 18 -3.266 -0.443 11.681 1.00 0.00 O ATOM 218 CB ALA A 18 -0.811 1.003 12.767 1.00 0.00 C ATOM 0 H ALA A 18 0.858 -0.628 11.738 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.433 -0.887 13.544 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.756 1.499 12.990 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.110 1.174 13.584 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.398 1.408 11.843 1.00 0.00 H new ATOM 224 N HIS A 19 -1.630 -1.329 10.413 1.00 0.00 N ATOM 225 CA HIS A 19 -2.495 -1.620 9.271 1.00 0.00 C ATOM 226 C HIS A 19 -2.749 -3.118 9.120 1.00 0.00 C ATOM 227 O HIS A 19 -3.079 -3.579 8.038 1.00 0.00 O ATOM 228 CB HIS A 19 -1.875 -1.073 7.980 1.00 0.00 C ATOM 229 CG HIS A 19 -1.713 0.418 7.965 1.00 0.00 C ATOM 230 ND1 HIS A 19 -2.766 1.302 7.878 1.00 0.00 N ATOM 231 CD2 HIS A 19 -0.590 1.180 8.023 1.00 0.00 C ATOM 232 CE1 HIS A 19 -2.261 2.544 7.886 1.00 0.00 C ATOM 233 NE2 HIS A 19 -0.945 2.523 7.973 1.00 0.00 N ATOM 0 H HIS A 19 -0.658 -1.607 10.281 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.451 -1.130 9.455 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.899 -1.536 7.833 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.498 -1.369 7.136 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.419 0.802 8.096 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.855 3.444 7.829 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.317 3.327 7.998 1.00 0.00 H new ATOM 240 N THR A 20 -2.572 -3.878 10.197 1.00 0.00 N ATOM 241 CA THR A 20 -2.771 -5.326 10.143 1.00 0.00 C ATOM 242 C THR A 20 -4.259 -5.714 10.087 1.00 0.00 C ATOM 243 O THR A 20 -5.057 -5.308 10.936 1.00 0.00 O ATOM 244 CB THR A 20 -2.085 -6.033 11.337 1.00 0.00 C ATOM 245 OG1 THR A 20 -2.353 -7.441 11.302 1.00 0.00 O ATOM 246 CG2 THR A 20 -2.549 -5.456 12.670 1.00 0.00 C ATOM 0 H THR A 20 -2.294 -3.521 11.111 1.00 0.00 H new ATOM 0 HA THR A 20 -2.306 -5.663 9.217 1.00 0.00 H new ATOM 0 HB THR A 20 -1.012 -5.864 11.247 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.912 -7.877 12.061 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.047 -5.976 13.486 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.305 -4.394 12.712 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.627 -5.585 12.767 1.00 0.00 H new ATOM 254 N LEU A 21 -4.612 -6.502 9.066 1.00 0.00 N ATOM 255 CA LEU A 21 -5.980 -6.986 8.864 1.00 0.00 C ATOM 256 C LEU A 21 -5.972 -8.130 7.848 1.00 0.00 C ATOM 257 O LEU A 21 -4.908 -8.518 7.369 1.00 0.00 O ATOM 258 CB LEU A 21 -6.903 -5.861 8.387 1.00 0.00 C ATOM 259 CG LEU A 21 -8.137 -5.615 9.259 1.00 0.00 C ATOM 260 CD1 LEU A 21 -8.067 -4.239 9.905 1.00 0.00 C ATOM 261 CD2 LEU A 21 -9.411 -5.754 8.438 1.00 0.00 C ATOM 0 H LEU A 21 -3.955 -6.822 8.355 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.363 -7.347 9.818 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.326 -4.938 8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.234 -6.089 7.374 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.154 -6.367 10.048 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.952 -4.081 10.521 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.175 -4.174 10.528 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.024 -3.475 9.129 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.276 -5.575 9.076 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.402 -5.026 7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.468 -6.760 8.022 1.00 0.00 H new ATOM 273 N LEU A 22 -7.148 -8.671 7.520 1.00 0.00 N ATOM 274 CA LEU A 22 -7.229 -9.781 6.564 1.00 0.00 C ATOM 275 C LEU A 22 -7.145 -9.306 5.108 1.00 0.00 C ATOM 276 O LEU A 22 -6.262 -9.732 4.364 1.00 0.00 O ATOM 277 CB LEU A 22 -8.522 -10.573 6.780 1.00 0.00 C ATOM 278 CG LEU A 22 -8.462 -12.043 6.355 1.00 0.00 C ATOM 279 CD1 LEU A 22 -8.955 -12.947 7.476 1.00 0.00 C ATOM 280 CD2 LEU A 22 -9.283 -12.266 5.093 1.00 0.00 C ATOM 0 H LEU A 22 -8.046 -8.365 7.895 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.369 -10.424 6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.786 -10.527 7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.326 -10.084 6.229 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.423 -12.296 6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.904 -13.987 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.328 -12.809 8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.986 -12.693 7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.229 -13.316 4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.322 -11.994 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.887 -11.648 4.287 1.00 0.00 H new ATOM 292 N PHE A 23 -8.065 -8.429 4.698 1.00 0.00 N ATOM 293 CA PHE A 23 -8.062 -7.907 3.326 1.00 0.00 C ATOM 294 C PHE A 23 -6.934 -6.903 3.140 1.00 0.00 C ATOM 295 O PHE A 23 -6.322 -6.810 2.073 1.00 0.00 O ATOM 296 CB PHE A 23 -9.403 -7.255 2.983 1.00 0.00 C ATOM 297 CG PHE A 23 -10.529 -8.236 2.826 1.00 0.00 C ATOM 298 CD1 PHE A 23 -11.371 -8.522 3.889 1.00 0.00 C ATOM 299 CD2 PHE A 23 -10.744 -8.874 1.616 1.00 0.00 C ATOM 300 CE1 PHE A 23 -12.407 -9.425 3.745 1.00 0.00 C ATOM 301 CE2 PHE A 23 -11.776 -9.778 1.466 1.00 0.00 C ATOM 302 CZ PHE A 23 -12.609 -10.054 2.532 1.00 0.00 C ATOM 0 H PHE A 23 -8.815 -8.068 5.288 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.904 -8.747 2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.661 -6.542 3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.295 -6.688 2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.216 -8.034 4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.096 -8.661 0.779 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.058 -9.639 4.580 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.932 -10.269 0.517 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.418 -10.761 2.418 1.00 0.00 H new ATOM 312 N ASP A 24 -6.684 -6.149 4.195 1.00 0.00 N ATOM 313 CA ASP A 24 -5.631 -5.146 4.215 1.00 0.00 C ATOM 314 C ASP A 24 -4.511 -5.598 5.131 1.00 0.00 C ATOM 315 O ASP A 24 -4.361 -5.084 6.233 1.00 0.00 O ATOM 316 CB ASP A 24 -6.133 -3.744 4.616 1.00 0.00 C ATOM 317 CG ASP A 24 -7.167 -3.739 5.727 1.00 0.00 C ATOM 318 OD1 ASP A 24 -8.207 -4.421 5.587 1.00 0.00 O ATOM 319 OD2 ASP A 24 -6.947 -3.038 6.736 1.00 0.00 O ATOM 0 H ASP A 24 -7.208 -6.214 5.068 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.258 -5.052 3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.280 -3.142 4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.560 -3.260 3.738 1.00 0.00 H new ATOM 324 N LEU A 25 -3.785 -6.625 4.686 1.00 0.00 N ATOM 325 CA LEU A 25 -2.662 -7.197 5.433 1.00 0.00 C ATOM 326 C LEU A 25 -1.713 -6.096 5.928 1.00 0.00 C ATOM 327 O LEU A 25 -1.698 -4.999 5.364 1.00 0.00 O ATOM 328 CB LEU A 25 -1.894 -8.179 4.541 1.00 0.00 C ATOM 329 CG LEU A 25 -2.693 -9.406 4.087 1.00 0.00 C ATOM 330 CD1 LEU A 25 -1.906 -10.214 3.067 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.072 -10.275 5.279 1.00 0.00 C ATOM 0 H LEU A 25 -3.960 -7.086 3.793 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.060 -7.723 6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.544 -7.646 3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.009 -8.519 5.079 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.610 -9.056 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.492 -11.080 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.692 -9.593 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.970 -10.549 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.638 -11.140 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.168 -10.612 5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.682 -9.696 5.972 1.00 0.00 H new ATOM 343 N PRO A 26 -0.935 -6.381 7.008 1.00 0.00 N ATOM 344 CA PRO A 26 0.025 -5.448 7.633 1.00 0.00 C ATOM 345 C PRO A 26 0.749 -4.502 6.657 1.00 0.00 C ATOM 346 O PRO A 26 0.809 -4.753 5.451 1.00 0.00 O ATOM 347 CB PRO A 26 1.045 -6.393 8.294 1.00 0.00 C ATOM 348 CG PRO A 26 0.442 -7.768 8.284 1.00 0.00 C ATOM 349 CD PRO A 26 -0.957 -7.651 7.741 1.00 0.00 C ATOM 0 HA PRO A 26 -0.495 -4.769 8.309 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.989 -6.382 7.750 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.261 -6.074 9.314 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.037 -8.442 7.667 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.428 -8.187 9.290 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.205 -8.487 7.087 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.698 -7.640 8.540 1.00 0.00 H new ATOM 357 N PRO A 27 1.367 -3.418 7.204 1.00 0.00 N ATOM 358 CA PRO A 27 2.088 -2.390 6.425 1.00 0.00 C ATOM 359 C PRO A 27 3.092 -2.932 5.415 1.00 0.00 C ATOM 360 O PRO A 27 3.627 -2.174 4.622 1.00 0.00 O ATOM 361 CB PRO A 27 2.826 -1.582 7.483 1.00 0.00 C ATOM 362 CG PRO A 27 1.989 -1.713 8.698 1.00 0.00 C ATOM 363 CD PRO A 27 1.391 -3.094 8.645 1.00 0.00 C ATOM 0 HA PRO A 27 1.378 -1.827 5.819 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.831 -1.970 7.649 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.932 -0.539 7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.587 -1.582 9.600 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.210 -0.951 8.719 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.991 -3.811 9.205 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.390 -3.112 9.075 1.00 0.00 H new ATOM 371 N ALA A 28 3.356 -4.228 5.448 1.00 0.00 N ATOM 372 CA ALA A 28 4.296 -4.841 4.526 1.00 0.00 C ATOM 373 C ALA A 28 3.920 -4.530 3.076 1.00 0.00 C ATOM 374 O ALA A 28 4.797 -4.360 2.232 1.00 0.00 O ATOM 375 CB ALA A 28 4.336 -6.345 4.753 1.00 0.00 C ATOM 0 H ALA A 28 2.929 -4.878 6.108 1.00 0.00 H new ATOM 0 HA ALA A 28 5.286 -4.426 4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.043 -6.799 4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.650 -6.550 5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.344 -6.765 4.587 1.00 0.00 H new ATOM 381 N LEU A 29 2.620 -4.463 2.782 1.00 0.00 N ATOM 382 CA LEU A 29 2.190 -4.154 1.422 1.00 0.00 C ATOM 383 C LEU A 29 1.581 -2.748 1.291 1.00 0.00 C ATOM 384 O LEU A 29 2.257 -1.818 0.861 1.00 0.00 O ATOM 385 CB LEU A 29 1.190 -5.201 0.931 1.00 0.00 C ATOM 386 CG LEU A 29 1.341 -5.581 -0.540 1.00 0.00 C ATOM 387 CD1 LEU A 29 2.758 -6.065 -0.814 1.00 0.00 C ATOM 388 CD2 LEU A 29 0.330 -6.648 -0.921 1.00 0.00 C ATOM 0 H LEU A 29 1.865 -4.615 3.451 1.00 0.00 H new ATOM 0 HA LEU A 29 3.085 -4.175 0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.297 -6.100 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.180 -4.825 1.094 1.00 0.00 H new ATOM 0 HG LEU A 29 1.151 -4.698 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.854 -6.333 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.466 -5.271 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.970 -6.938 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.453 -6.906 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.489 -7.535 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.679 -6.269 -0.756 1.00 0.00 H new ATOM 400 N LEU A 30 0.316 -2.592 1.692 1.00 0.00 N ATOM 401 CA LEU A 30 -0.388 -1.305 1.579 1.00 0.00 C ATOM 402 C LEU A 30 0.261 -0.190 2.399 1.00 0.00 C ATOM 403 O LEU A 30 0.489 0.901 1.880 1.00 0.00 O ATOM 404 CB LEU A 30 -1.853 -1.473 2.018 1.00 0.00 C ATOM 405 CG LEU A 30 -2.716 -0.205 1.957 1.00 0.00 C ATOM 406 CD1 LEU A 30 -2.867 0.293 0.530 1.00 0.00 C ATOM 407 CD2 LEU A 30 -4.079 -0.458 2.584 1.00 0.00 C ATOM 0 H LEU A 30 -0.245 -3.341 2.099 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.331 -1.008 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.316 -2.236 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.866 -1.850 3.041 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.209 0.573 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.483 1.192 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.884 0.523 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.342 -0.478 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.678 0.451 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.586 -1.257 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.951 -0.750 3.627 1.00 0.00 H new ATOM 419 N GLY A 31 0.580 -0.465 3.665 1.00 0.00 N ATOM 420 CA GLY A 31 1.156 0.562 4.527 1.00 0.00 C ATOM 421 C GLY A 31 2.483 1.127 4.041 1.00 0.00 C ATOM 422 O GLY A 31 2.637 2.343 3.933 1.00 0.00 O ATOM 0 H GLY A 31 0.451 -1.375 4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.442 1.380 4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.298 0.144 5.524 1.00 0.00 H new ATOM 426 N GLU A 32 3.431 0.252 3.735 1.00 0.00 N ATOM 427 CA GLU A 32 4.749 0.672 3.273 1.00 0.00 C ATOM 428 C GLU A 32 4.712 1.262 1.867 1.00 0.00 C ATOM 429 O GLU A 32 5.340 2.289 1.611 1.00 0.00 O ATOM 430 CB GLU A 32 5.724 -0.508 3.340 1.00 0.00 C ATOM 431 CG GLU A 32 7.175 -0.142 3.047 1.00 0.00 C ATOM 432 CD GLU A 32 7.526 -0.235 1.575 1.00 0.00 C ATOM 433 OE1 GLU A 32 6.859 -1.007 0.855 1.00 0.00 O ATOM 434 OE2 GLU A 32 8.468 0.458 1.145 1.00 0.00 O ATOM 0 H GLU A 32 3.312 -0.759 3.799 1.00 0.00 H new ATOM 0 HA GLU A 32 5.094 1.465 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.668 -0.954 4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.403 -1.270 2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.365 0.873 3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.832 -0.802 3.613 1.00 0.00 H new ATOM 441 N LEU A 33 3.975 0.626 0.957 1.00 0.00 N ATOM 442 CA LEU A 33 3.910 1.110 -0.415 1.00 0.00 C ATOM 443 C LEU A 33 3.207 2.462 -0.511 1.00 0.00 C ATOM 444 O LEU A 33 3.616 3.315 -1.294 1.00 0.00 O ATOM 445 CB LEU A 33 3.258 0.080 -1.351 1.00 0.00 C ATOM 446 CG LEU A 33 4.054 -1.220 -1.520 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.289 -2.213 -2.381 1.00 0.00 C ATOM 448 CD2 LEU A 33 5.426 -0.936 -2.113 1.00 0.00 C ATOM 0 H LEU A 33 3.424 -0.212 1.143 1.00 0.00 H new ATOM 0 HA LEU A 33 4.939 1.253 -0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.267 -0.163 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.119 0.536 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 33 4.194 -1.664 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.873 -3.128 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.334 -2.445 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.111 -1.780 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.975 -1.871 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.310 -0.464 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.978 -0.269 -1.451 1.00 0.00 H new ATOM 460 N CYS A 34 2.153 2.669 0.274 1.00 0.00 N ATOM 461 CA CYS A 34 1.439 3.943 0.227 1.00 0.00 C ATOM 462 C CYS A 34 2.239 5.068 0.890 1.00 0.00 C ATOM 463 O CYS A 34 2.153 6.220 0.477 1.00 0.00 O ATOM 464 CB CYS A 34 0.059 3.832 0.889 1.00 0.00 C ATOM 465 SG CYS A 34 0.091 3.763 2.698 1.00 0.00 S ATOM 0 H CYS A 34 1.780 1.989 0.936 1.00 0.00 H new ATOM 0 HA CYS A 34 1.308 4.189 -0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.546 4.685 0.582 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.438 2.938 0.514 1.00 0.00 H new ATOM 0 HG CYS A 34 1.174 3.161 3.090 1.00 0.00 H new ATOM 471 N ALA A 35 3.026 4.731 1.910 1.00 0.00 N ATOM 472 CA ALA A 35 3.805 5.735 2.634 1.00 0.00 C ATOM 473 C ALA A 35 5.155 6.046 1.982 1.00 0.00 C ATOM 474 O ALA A 35 5.456 7.204 1.695 1.00 0.00 O ATOM 475 CB ALA A 35 4.017 5.289 4.073 1.00 0.00 C ATOM 0 H ALA A 35 3.141 3.777 2.253 1.00 0.00 H new ATOM 0 HA ALA A 35 3.225 6.657 2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.598 6.042 4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.051 5.164 4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.555 4.341 4.085 1.00 0.00 H new ATOM 481 N VAL A 36 5.963 5.013 1.750 1.00 0.00 N ATOM 482 CA VAL A 36 7.295 5.191 1.172 1.00 0.00 C ATOM 483 C VAL A 36 7.248 5.742 -0.258 1.00 0.00 C ATOM 484 O VAL A 36 8.003 6.655 -0.599 1.00 0.00 O ATOM 485 CB VAL A 36 8.108 3.874 1.210 1.00 0.00 C ATOM 486 CG1 VAL A 36 9.411 4.007 0.433 1.00 0.00 C ATOM 487 CG2 VAL A 36 8.389 3.474 2.651 1.00 0.00 C ATOM 0 H VAL A 36 5.719 4.044 1.953 1.00 0.00 H new ATOM 0 HA VAL A 36 7.798 5.932 1.793 1.00 0.00 H new ATOM 0 HB VAL A 36 7.513 3.094 0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.959 3.066 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.191 4.249 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.016 4.801 0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.961 2.546 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.961 4.261 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.446 3.327 3.178 1.00 0.00 H new ATOM 497 N LEU A 37 6.352 5.208 -1.087 1.00 0.00 N ATOM 498 CA LEU A 37 6.241 5.665 -2.474 1.00 0.00 C ATOM 499 C LEU A 37 5.639 7.066 -2.553 1.00 0.00 C ATOM 500 O LEU A 37 5.734 7.727 -3.582 1.00 0.00 O ATOM 501 CB LEU A 37 5.426 4.694 -3.328 1.00 0.00 C ATOM 502 CG LEU A 37 6.008 3.289 -3.473 1.00 0.00 C ATOM 503 CD1 LEU A 37 5.089 2.429 -4.316 1.00 0.00 C ATOM 504 CD2 LEU A 37 7.398 3.343 -4.085 1.00 0.00 C ATOM 0 H LEU A 37 5.700 4.468 -0.828 1.00 0.00 H new ATOM 0 HA LEU A 37 7.254 5.700 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.428 4.611 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.310 5.124 -4.323 1.00 0.00 H new ATOM 0 HG LEU A 37 6.092 2.844 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.513 1.430 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.112 2.363 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.980 2.874 -5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.794 2.332 -4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.344 3.805 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.055 3.931 -3.444 1.00 0.00 H new ATOM 516 N ASP A 38 4.979 7.502 -1.486 1.00 0.00 N ATOM 517 CA ASP A 38 4.396 8.842 -1.447 1.00 0.00 C ATOM 518 C ASP A 38 5.475 9.904 -1.633 1.00 0.00 C ATOM 519 O ASP A 38 5.261 10.919 -2.293 1.00 0.00 O ATOM 520 CB ASP A 38 3.653 9.077 -0.127 1.00 0.00 C ATOM 521 CG ASP A 38 3.300 10.536 0.102 1.00 0.00 C ATOM 522 OD1 ASP A 38 2.237 10.979 -0.375 1.00 0.00 O ATOM 523 OD2 ASP A 38 4.103 11.245 0.750 1.00 0.00 O ATOM 0 H ASP A 38 4.834 6.952 -0.639 1.00 0.00 H new ATOM 0 HA ASP A 38 3.681 8.919 -2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.740 8.482 -0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.270 8.724 0.699 1.00 0.00 H new ATOM 528 N SER A 39 6.637 9.651 -1.049 1.00 0.00 N ATOM 529 CA SER A 39 7.761 10.573 -1.137 1.00 0.00 C ATOM 530 C SER A 39 8.585 10.307 -2.395 1.00 0.00 C ATOM 531 O SER A 39 9.661 10.881 -2.575 1.00 0.00 O ATOM 532 CB SER A 39 8.646 10.444 0.104 1.00 0.00 C ATOM 533 OG SER A 39 7.920 10.750 1.282 1.00 0.00 O ATOM 0 H SER A 39 6.827 8.809 -0.505 1.00 0.00 H new ATOM 0 HA SER A 39 7.367 11.588 -1.192 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.041 9.430 0.169 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.501 11.114 0.016 1.00 0.00 H new ATOM 0 HG SER A 39 8.507 10.659 2.061 1.00 0.00 H new ATOM 539 N CYS A 40 8.082 9.422 -3.256 1.00 0.00 N ATOM 540 CA CYS A 40 8.768 9.072 -4.492 1.00 0.00 C ATOM 541 C CYS A 40 8.847 10.255 -5.448 1.00 0.00 C ATOM 542 O CYS A 40 7.893 11.017 -5.604 1.00 0.00 O ATOM 543 CB CYS A 40 8.078 7.903 -5.185 1.00 0.00 C ATOM 544 SG CYS A 40 8.891 7.375 -6.701 1.00 0.00 S ATOM 0 H CYS A 40 7.197 8.934 -3.116 1.00 0.00 H new ATOM 0 HA CYS A 40 9.783 8.781 -4.220 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.032 7.060 -4.496 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.050 8.184 -5.414 1.00 0.00 H new ATOM 0 HG CYS A 40 8.150 7.687 -7.722 1.00 0.00 H new ATOM 550 N ASP A 41 9.992 10.382 -6.098 1.00 0.00 N ATOM 551 CA ASP A 41 10.230 11.459 -7.046 1.00 0.00 C ATOM 552 C ASP A 41 10.804 10.883 -8.335 1.00 0.00 C ATOM 553 O ASP A 41 11.760 11.411 -8.902 1.00 0.00 O ATOM 554 CB ASP A 41 11.192 12.493 -6.451 1.00 0.00 C ATOM 555 CG ASP A 41 11.069 13.846 -7.121 1.00 0.00 C ATOM 556 OD1 ASP A 41 10.015 14.110 -7.739 1.00 0.00 O ATOM 557 OD2 ASP A 41 12.024 14.643 -7.028 1.00 0.00 O ATOM 0 H ASP A 41 10.780 9.745 -5.985 1.00 0.00 H new ATOM 0 HA ASP A 41 9.286 11.957 -7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.994 12.599 -5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.216 12.133 -6.550 1.00 0.00 H new ATOM 562 N GLY A 42 10.211 9.780 -8.780 1.00 0.00 N ATOM 563 CA GLY A 42 10.657 9.122 -9.993 1.00 0.00 C ATOM 564 C GLY A 42 11.664 8.013 -9.732 1.00 0.00 C ATOM 565 O GLY A 42 11.980 7.241 -10.636 1.00 0.00 O ATOM 0 H GLY A 42 9.423 9.327 -8.317 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.794 8.706 -10.513 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.103 9.862 -10.658 1.00 0.00 H new ATOM 569 N ALA A 43 12.171 7.935 -8.499 1.00 0.00 N ATOM 570 CA ALA A 43 13.146 6.902 -8.133 1.00 0.00 C ATOM 571 C ALA A 43 12.546 5.500 -8.240 1.00 0.00 C ATOM 572 O ALA A 43 13.187 4.578 -8.742 1.00 0.00 O ATOM 573 CB ALA A 43 13.669 7.148 -6.724 1.00 0.00 C ATOM 0 H ALA A 43 11.925 8.571 -7.740 1.00 0.00 H new ATOM 0 HA ALA A 43 13.976 6.962 -8.837 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.392 6.375 -6.464 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.151 8.125 -6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.839 7.121 -6.018 1.00 0.00 H new ATOM 579 N LEU A 44 11.314 5.347 -7.761 1.00 0.00 N ATOM 580 CA LEU A 44 10.617 4.063 -7.833 1.00 0.00 C ATOM 581 C LEU A 44 9.387 4.206 -8.716 1.00 0.00 C ATOM 582 O LEU A 44 8.875 3.231 -9.262 1.00 0.00 O ATOM 583 CB LEU A 44 10.185 3.567 -6.438 1.00 0.00 C ATOM 584 CG LEU A 44 11.303 2.977 -5.560 1.00 0.00 C ATOM 585 CD1 LEU A 44 12.281 2.162 -6.393 1.00 0.00 C ATOM 586 CD2 LEU A 44 12.031 4.080 -4.806 1.00 0.00 C ATOM 0 H LEU A 44 10.778 6.094 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 44 11.307 3.331 -8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.730 4.400 -5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.412 2.810 -6.566 1.00 0.00 H new ATOM 0 HG LEU A 44 10.842 2.308 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.060 1.757 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.751 1.343 -6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.734 2.801 -7.151 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.817 3.642 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.473 4.777 -5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.325 4.612 -4.168 1.00 0.00 H new ATOM 598 N GLY A 45 8.931 5.445 -8.848 1.00 0.00 N ATOM 599 CA GLY A 45 7.754 5.739 -9.633 1.00 0.00 C ATOM 600 C GLY A 45 6.479 5.433 -8.871 1.00 0.00 C ATOM 601 O GLY A 45 6.218 4.274 -8.554 1.00 0.00 O ATOM 0 H GLY A 45 9.365 6.261 -8.417 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.762 6.790 -9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.776 5.156 -10.554 1.00 0.00 H new ATOM 605 N TRP A 46 5.697 6.466 -8.546 1.00 0.00 N ATOM 606 CA TRP A 46 4.423 6.259 -7.842 1.00 0.00 C ATOM 607 C TRP A 46 3.574 5.224 -8.591 1.00 0.00 C ATOM 608 O TRP A 46 3.049 4.284 -7.993 1.00 0.00 O ATOM 609 CB TRP A 46 3.658 7.584 -7.695 1.00 0.00 C ATOM 610 CG TRP A 46 3.769 8.495 -8.889 1.00 0.00 C ATOM 611 CD1 TRP A 46 2.944 8.535 -9.976 1.00 0.00 C ATOM 612 CD2 TRP A 46 4.766 9.504 -9.107 1.00 0.00 C ATOM 613 NE1 TRP A 46 3.369 9.498 -10.858 1.00 0.00 N ATOM 614 CE2 TRP A 46 4.484 10.108 -10.348 1.00 0.00 C ATOM 615 CE3 TRP A 46 5.870 9.952 -8.375 1.00 0.00 C ATOM 616 CZ2 TRP A 46 5.266 11.135 -10.871 1.00 0.00 C ATOM 617 CZ3 TRP A 46 6.645 10.973 -8.896 1.00 0.00 C ATOM 618 CH2 TRP A 46 6.341 11.554 -10.133 1.00 0.00 C ATOM 0 H TRP A 46 5.916 7.440 -8.754 1.00 0.00 H new ATOM 0 HA TRP A 46 4.635 5.882 -6.841 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.605 7.365 -7.515 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.029 8.109 -6.815 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.082 7.901 -10.121 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.926 9.723 -11.749 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.113 9.509 -7.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.033 11.585 -11.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.499 11.328 -8.339 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.967 12.348 -10.513 1.00 0.00 H new ATOM 629 N ARG A 47 3.438 5.420 -9.900 1.00 0.00 N ATOM 630 CA ARG A 47 2.707 4.491 -10.759 1.00 0.00 C ATOM 631 C ARG A 47 3.586 3.327 -11.201 1.00 0.00 C ATOM 632 O ARG A 47 3.135 2.486 -11.950 1.00 0.00 O ATOM 633 CB ARG A 47 2.138 5.183 -12.005 1.00 0.00 C ATOM 634 CG ARG A 47 3.191 5.833 -12.887 1.00 0.00 C ATOM 635 CD ARG A 47 2.563 6.547 -14.073 1.00 0.00 C ATOM 636 NE ARG A 47 3.567 7.206 -14.905 1.00 0.00 N ATOM 637 CZ ARG A 47 3.276 7.927 -15.983 1.00 0.00 C ATOM 638 NH1 ARG A 47 4.248 8.510 -16.675 1.00 0.00 N ATOM 639 NH2 ARG A 47 2.013 8.065 -16.372 1.00 0.00 N ATOM 0 H ARG A 47 3.829 6.223 -10.394 1.00 0.00 H new ATOM 0 HA ARG A 47 1.880 4.113 -10.157 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.587 4.451 -12.595 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.423 5.943 -11.691 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.771 6.544 -12.299 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.886 5.074 -13.245 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.006 5.829 -14.676 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.847 7.286 -13.714 1.00 0.00 H new ATOM 0 HE ARG A 47 4.548 7.107 -14.643 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.218 8.405 -16.379 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.024 9.063 -17.502 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.265 7.617 -15.843 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.792 8.619 -17.200 1.00 0.00 H new ATOM 653 N GLY A 48 4.834 3.285 -10.752 1.00 0.00 N ATOM 654 CA GLY A 48 5.740 2.229 -11.184 1.00 0.00 C ATOM 655 C GLY A 48 5.222 0.834 -10.894 1.00 0.00 C ATOM 656 O GLY A 48 5.286 -0.041 -11.758 1.00 0.00 O ATOM 0 H GLY A 48 5.237 3.958 -10.100 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.916 2.328 -12.255 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.702 2.361 -10.689 1.00 0.00 H new ATOM 660 N LEU A 49 4.712 0.617 -9.689 1.00 0.00 N ATOM 661 CA LEU A 49 4.174 -0.690 -9.330 1.00 0.00 C ATOM 662 C LEU A 49 2.826 -0.941 -10.012 1.00 0.00 C ATOM 663 O LEU A 49 2.572 -2.035 -10.524 1.00 0.00 O ATOM 664 CB LEU A 49 4.031 -0.803 -7.814 1.00 0.00 C ATOM 665 CG LEU A 49 5.337 -0.669 -7.027 1.00 0.00 C ATOM 666 CD1 LEU A 49 5.063 -0.786 -5.541 1.00 0.00 C ATOM 667 CD2 LEU A 49 6.345 -1.718 -7.468 1.00 0.00 C ATOM 0 H LEU A 49 4.659 1.319 -8.951 1.00 0.00 H new ATOM 0 HA LEU A 49 4.873 -1.451 -9.678 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.338 -0.034 -7.472 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.580 -1.767 -7.578 1.00 0.00 H new ATOM 0 HG LEU A 49 5.763 0.313 -7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.998 -0.689 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.378 0.004 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.616 -1.757 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.265 -1.603 -6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.933 -2.713 -7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.561 -1.592 -8.529 1.00 0.00 H new ATOM 679 N ALA A 50 1.966 0.079 -10.014 1.00 0.00 N ATOM 680 CA ALA A 50 0.640 -0.022 -10.630 1.00 0.00 C ATOM 681 C ALA A 50 0.703 -0.231 -12.142 1.00 0.00 C ATOM 682 O ALA A 50 -0.074 -1.004 -12.701 1.00 0.00 O ATOM 683 CB ALA A 50 -0.177 1.220 -10.329 1.00 0.00 C ATOM 0 H ALA A 50 2.164 0.988 -9.595 1.00 0.00 H new ATOM 0 HA ALA A 50 0.163 -0.901 -10.196 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.159 1.131 -10.793 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.293 1.326 -9.250 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.334 2.097 -10.727 1.00 0.00 H new ATOM 689 N GLU A 51 1.634 0.465 -12.784 1.00 0.00 N ATOM 690 CA GLU A 51 1.797 0.410 -14.232 1.00 0.00 C ATOM 691 C GLU A 51 2.099 -1.014 -14.706 1.00 0.00 C ATOM 692 O GLU A 51 1.534 -1.481 -15.697 1.00 0.00 O ATOM 693 CB GLU A 51 2.926 1.355 -14.669 1.00 0.00 C ATOM 694 CG GLU A 51 3.142 1.408 -16.177 1.00 0.00 C ATOM 695 CD GLU A 51 4.247 2.368 -16.578 1.00 0.00 C ATOM 696 OE1 GLU A 51 4.863 2.979 -15.678 1.00 0.00 O ATOM 697 OE2 GLU A 51 4.499 2.506 -17.791 1.00 0.00 O ATOM 0 H GLU A 51 2.297 1.083 -12.316 1.00 0.00 H new ATOM 0 HA GLU A 51 0.859 0.727 -14.688 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.705 2.360 -14.309 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.854 1.042 -14.190 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.385 0.409 -16.540 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.213 1.707 -16.663 1.00 0.00 H new ATOM 704 N ARG A 52 3.010 -1.693 -14.002 1.00 0.00 N ATOM 705 CA ARG A 52 3.379 -3.067 -14.345 1.00 0.00 C ATOM 706 C ARG A 52 2.212 -4.031 -14.151 1.00 0.00 C ATOM 707 O ARG A 52 2.015 -4.942 -14.954 1.00 0.00 O ATOM 708 CB ARG A 52 4.577 -3.533 -13.515 1.00 0.00 C ATOM 709 CG ARG A 52 5.897 -2.908 -13.933 1.00 0.00 C ATOM 710 CD ARG A 52 7.008 -3.240 -12.951 1.00 0.00 C ATOM 711 NE ARG A 52 8.316 -2.798 -13.432 1.00 0.00 N ATOM 712 CZ ARG A 52 8.751 -1.544 -13.352 1.00 0.00 C ATOM 713 NH1 ARG A 52 9.966 -1.237 -13.788 1.00 0.00 N ATOM 714 NH2 ARG A 52 7.972 -0.596 -12.846 1.00 0.00 N ATOM 0 H ARG A 52 3.503 -1.314 -13.194 1.00 0.00 H new ATOM 0 HA ARG A 52 3.652 -3.070 -15.400 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.392 -3.300 -12.466 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.659 -4.617 -13.591 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.170 -3.264 -14.926 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.783 -1.826 -14.002 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.796 -2.768 -11.992 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.030 -4.316 -12.779 1.00 0.00 H new ATOM 0 HE ARG A 52 8.932 -3.493 -13.854 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.564 -1.962 -14.184 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.302 -0.276 -13.728 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.035 -0.828 -12.516 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.310 0.364 -12.787 1.00 0.00 H new ATOM 728 N LEU A 53 1.450 -3.837 -13.075 1.00 0.00 N ATOM 729 CA LEU A 53 0.311 -4.704 -12.790 1.00 0.00 C ATOM 730 C LEU A 53 -0.818 -4.473 -13.796 1.00 0.00 C ATOM 731 O LEU A 53 -1.427 -5.423 -14.287 1.00 0.00 O ATOM 732 CB LEU A 53 -0.193 -4.479 -11.357 1.00 0.00 C ATOM 733 CG LEU A 53 -0.990 -5.644 -10.759 1.00 0.00 C ATOM 734 CD1 LEU A 53 -0.519 -5.942 -9.345 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.481 -5.338 -10.768 1.00 0.00 C ATOM 0 H LEU A 53 1.600 -3.094 -12.393 1.00 0.00 H new ATOM 0 HA LEU A 53 0.643 -5.738 -12.883 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.664 -4.277 -10.714 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.818 -3.586 -11.344 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.817 -6.526 -11.375 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.096 -6.772 -8.937 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.538 -6.209 -9.362 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.661 -5.060 -8.721 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.027 -6.178 -10.339 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.672 -4.442 -10.178 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.813 -5.175 -11.793 1.00 0.00 H new ATOM 747 N SER A 54 -1.101 -3.208 -14.091 1.00 0.00 N ATOM 748 CA SER A 54 -2.147 -2.865 -15.049 1.00 0.00 C ATOM 749 C SER A 54 -1.705 -1.712 -15.947 1.00 0.00 C ATOM 750 O SER A 54 -1.464 -0.601 -15.474 1.00 0.00 O ATOM 751 CB SER A 54 -3.436 -2.490 -14.312 1.00 0.00 C ATOM 752 OG SER A 54 -3.926 -3.583 -13.555 1.00 0.00 O ATOM 0 H SER A 54 -0.622 -2.405 -13.682 1.00 0.00 H new ATOM 0 HA SER A 54 -2.335 -3.737 -15.675 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.249 -1.642 -13.653 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.191 -2.174 -15.031 1.00 0.00 H new ATOM 0 HG SER A 54 -4.748 -3.318 -13.093 1.00 0.00 H new ATOM 758 N SER A 55 -1.615 -1.973 -17.247 1.00 0.00 N ATOM 759 CA SER A 55 -1.207 -0.948 -18.200 1.00 0.00 C ATOM 760 C SER A 55 -2.404 -0.458 -19.009 1.00 0.00 C ATOM 761 O SER A 55 -2.723 -1.011 -20.062 1.00 0.00 O ATOM 762 CB SER A 55 -0.130 -1.497 -19.140 1.00 0.00 C ATOM 763 OG SER A 55 1.004 -1.951 -18.416 1.00 0.00 O ATOM 0 H SER A 55 -1.818 -2.882 -17.663 1.00 0.00 H new ATOM 0 HA SER A 55 -0.796 -0.106 -17.642 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.541 -2.318 -19.728 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.172 -0.721 -19.843 1.00 0.00 H new ATOM 0 HG SER A 55 0.934 -1.660 -17.483 1.00 0.00 H new ATOM 769 N SER A 56 -3.071 0.576 -18.508 1.00 0.00 N ATOM 770 CA SER A 56 -4.230 1.136 -19.191 1.00 0.00 C ATOM 771 C SER A 56 -4.146 2.659 -19.247 1.00 0.00 C ATOM 772 O SER A 56 -3.574 3.292 -18.357 1.00 0.00 O ATOM 773 CB SER A 56 -5.520 0.710 -18.485 1.00 0.00 C ATOM 774 OG SER A 56 -5.660 -0.702 -18.491 1.00 0.00 O ATOM 0 H SER A 56 -2.829 1.042 -17.633 1.00 0.00 H new ATOM 0 HA SER A 56 -4.239 0.753 -20.211 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.514 1.074 -17.458 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.377 1.166 -18.980 1.00 0.00 H new ATOM 0 HG SER A 56 -6.490 -0.950 -18.033 1.00 0.00 H new ATOM 780 N TRP A 57 -4.720 3.240 -20.294 1.00 0.00 N ATOM 781 CA TRP A 57 -4.717 4.689 -20.466 1.00 0.00 C ATOM 782 C TRP A 57 -5.898 5.316 -19.729 1.00 0.00 C ATOM 783 O TRP A 57 -6.788 4.600 -19.264 1.00 0.00 O ATOM 784 CB TRP A 57 -4.757 5.058 -21.956 1.00 0.00 C ATOM 785 CG TRP A 57 -5.820 4.335 -22.733 1.00 0.00 C ATOM 786 CD1 TRP A 57 -7.120 4.720 -22.904 1.00 0.00 C ATOM 787 CD2 TRP A 57 -5.670 3.103 -23.453 1.00 0.00 C ATOM 788 NE1 TRP A 57 -7.787 3.802 -23.677 1.00 0.00 N ATOM 789 CE2 TRP A 57 -6.918 2.800 -24.029 1.00 0.00 C ATOM 790 CE3 TRP A 57 -4.601 2.227 -23.665 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -7.125 1.661 -24.802 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -4.807 1.097 -24.431 1.00 0.00 C ATOM 793 CH2 TRP A 57 -6.062 0.822 -24.992 1.00 0.00 C ATOM 0 H TRP A 57 -5.195 2.729 -21.038 1.00 0.00 H new ATOM 0 HA TRP A 57 -3.794 5.083 -20.040 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -4.919 6.132 -22.050 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.785 4.842 -22.400 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -7.559 5.616 -22.491 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -8.769 3.856 -23.946 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.631 2.431 -23.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -8.091 1.448 -25.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.988 0.414 -24.601 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -6.192 -0.070 -25.586 1.00 0.00 H new ATOM 804 N LEU A 58 -5.877 6.652 -19.604 1.00 0.00 N ATOM 805 CA LEU A 58 -6.936 7.421 -18.925 1.00 0.00 C ATOM 806 C LEU A 58 -6.877 7.248 -17.401 1.00 0.00 C ATOM 807 O LEU A 58 -7.042 8.213 -16.654 1.00 0.00 O ATOM 808 CB LEU A 58 -8.326 7.031 -19.454 1.00 0.00 C ATOM 809 CG LEU A 58 -9.501 7.814 -18.858 1.00 0.00 C ATOM 810 CD1 LEU A 58 -9.382 9.296 -19.184 1.00 0.00 C ATOM 811 CD2 LEU A 58 -10.823 7.259 -19.369 1.00 0.00 C ATOM 0 H LEU A 58 -5.123 7.233 -19.972 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.761 8.474 -19.148 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.335 7.164 -20.536 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.484 5.970 -19.262 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.474 7.701 -17.774 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.226 9.833 -18.751 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.453 9.686 -18.769 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.382 9.432 -20.266 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.647 7.826 -18.936 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.857 7.342 -20.455 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.913 6.211 -19.082 1.00 0.00 H new ATOM 823 N ASP A 59 -6.621 6.021 -16.953 1.00 0.00 N ATOM 824 CA ASP A 59 -6.534 5.706 -15.526 1.00 0.00 C ATOM 825 C ASP A 59 -5.377 6.445 -14.857 1.00 0.00 C ATOM 826 O ASP A 59 -5.394 6.673 -13.648 1.00 0.00 O ATOM 827 CB ASP A 59 -6.370 4.197 -15.312 1.00 0.00 C ATOM 828 CG ASP A 59 -7.639 3.419 -15.605 1.00 0.00 C ATOM 829 OD1 ASP A 59 -8.712 4.049 -15.710 1.00 0.00 O ATOM 830 OD2 ASP A 59 -7.555 2.181 -15.733 1.00 0.00 O ATOM 0 H ASP A 59 -6.468 5.219 -17.565 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.466 6.036 -15.067 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.568 3.829 -15.952 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.066 4.012 -14.282 1.00 0.00 H new ATOM 835 N VAL A 60 -4.373 6.812 -15.651 1.00 0.00 N ATOM 836 CA VAL A 60 -3.202 7.524 -15.143 1.00 0.00 C ATOM 837 C VAL A 60 -3.570 8.900 -14.579 1.00 0.00 C ATOM 838 O VAL A 60 -2.830 9.464 -13.773 1.00 0.00 O ATOM 839 CB VAL A 60 -2.122 7.689 -16.235 1.00 0.00 C ATOM 840 CG1 VAL A 60 -1.538 6.336 -16.617 1.00 0.00 C ATOM 841 CG2 VAL A 60 -2.691 8.391 -17.465 1.00 0.00 C ATOM 0 H VAL A 60 -4.347 6.627 -16.654 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.799 6.914 -14.335 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.324 8.310 -15.829 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.779 6.472 -17.387 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.086 5.874 -15.739 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.331 5.692 -16.998 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.910 8.495 -18.219 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.513 7.802 -17.872 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.057 9.378 -17.184 1.00 0.00 H new ATOM 851 N ASP A 61 -4.713 9.436 -15.011 1.00 0.00 N ATOM 852 CA ASP A 61 -5.179 10.739 -14.538 1.00 0.00 C ATOM 853 C ASP A 61 -5.482 10.690 -13.040 1.00 0.00 C ATOM 854 O ASP A 61 -5.138 11.607 -12.297 1.00 0.00 O ATOM 855 CB ASP A 61 -6.429 11.171 -15.311 1.00 0.00 C ATOM 856 CG ASP A 61 -6.798 12.622 -15.066 1.00 0.00 C ATOM 857 OD1 ASP A 61 -5.887 13.431 -14.793 1.00 0.00 O ATOM 858 OD2 ASP A 61 -7.999 12.949 -15.156 1.00 0.00 O ATOM 0 H ASP A 61 -5.332 8.988 -15.687 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.388 11.468 -14.711 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.262 11.018 -16.377 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.266 10.534 -15.025 1.00 0.00 H new ATOM 863 N HIS A 62 -6.120 9.602 -12.607 1.00 0.00 N ATOM 864 CA HIS A 62 -6.477 9.421 -11.201 1.00 0.00 C ATOM 865 C HIS A 62 -5.230 9.211 -10.341 1.00 0.00 C ATOM 866 O HIS A 62 -5.232 9.524 -9.149 1.00 0.00 O ATOM 867 CB HIS A 62 -7.444 8.247 -11.034 1.00 0.00 C ATOM 868 CG HIS A 62 -8.324 8.371 -9.825 1.00 0.00 C ATOM 869 ND1 HIS A 62 -9.390 9.239 -9.743 1.00 0.00 N ATOM 870 CD2 HIS A 62 -8.276 7.724 -8.634 1.00 0.00 C ATOM 871 CE1 HIS A 62 -9.943 9.096 -8.530 1.00 0.00 C ATOM 872 NE2 HIS A 62 -9.304 8.187 -7.819 1.00 0.00 N ATOM 0 H HIS A 62 -6.401 8.831 -13.213 1.00 0.00 H new ATOM 0 HA HIS A 62 -6.975 10.330 -10.863 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -8.069 8.171 -11.924 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -6.873 7.321 -10.966 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.554 6.969 -8.361 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -10.800 9.653 -8.181 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -9.519 7.886 -6.868 1.00 0.00 H new ATOM 879 N ILE A 63 -4.164 8.691 -10.954 1.00 0.00 N ATOM 880 CA ILE A 63 -2.902 8.452 -10.252 1.00 0.00 C ATOM 881 C ILE A 63 -2.348 9.764 -9.684 1.00 0.00 C ATOM 882 O ILE A 63 -1.783 9.797 -8.591 1.00 0.00 O ATOM 883 CB ILE A 63 -1.851 7.782 -11.178 1.00 0.00 C ATOM 884 CG1 ILE A 63 -2.249 6.333 -11.477 1.00 0.00 C ATOM 885 CG2 ILE A 63 -0.461 7.823 -10.556 1.00 0.00 C ATOM 886 CD1 ILE A 63 -1.438 5.691 -12.584 1.00 0.00 C ATOM 0 H ILE A 63 -4.151 8.427 -11.939 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.107 7.767 -9.429 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.823 8.344 -12.112 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.138 5.741 -10.568 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.304 6.305 -11.749 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.253 7.346 -11.228 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.167 8.859 -10.390 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.473 7.293 -9.604 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.778 4.667 -12.737 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.568 6.258 -13.506 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.384 5.686 -12.307 1.00 0.00 H new ATOM 898 N GLU A 64 -2.481 10.841 -10.439 1.00 0.00 N ATOM 899 CA GLU A 64 -2.011 12.140 -9.979 1.00 0.00 C ATOM 900 C GLU A 64 -3.011 12.779 -9.005 1.00 0.00 C ATOM 901 O GLU A 64 -2.651 13.665 -8.232 1.00 0.00 O ATOM 902 CB GLU A 64 -1.776 13.068 -11.173 1.00 0.00 C ATOM 903 CG GLU A 64 -0.745 12.543 -12.166 1.00 0.00 C ATOM 904 CD GLU A 64 0.653 12.449 -11.579 1.00 0.00 C ATOM 905 OE1 GLU A 64 0.937 13.168 -10.598 1.00 0.00 O ATOM 906 OE2 GLU A 64 1.459 11.653 -12.101 1.00 0.00 O ATOM 0 H GLU A 64 -2.907 10.845 -11.366 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.070 11.990 -9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.722 13.223 -11.693 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.451 14.042 -10.806 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.054 11.557 -12.514 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.723 13.197 -13.038 1.00 0.00 H new ATOM 913 N LYS A 65 -4.268 12.337 -9.057 1.00 0.00 N ATOM 914 CA LYS A 65 -5.320 12.895 -8.197 1.00 0.00 C ATOM 915 C LYS A 65 -5.209 12.495 -6.714 1.00 0.00 C ATOM 916 O LYS A 65 -5.341 13.350 -5.839 1.00 0.00 O ATOM 917 CB LYS A 65 -6.697 12.494 -8.727 1.00 0.00 C ATOM 918 CG LYS A 65 -7.058 13.154 -10.050 1.00 0.00 C ATOM 919 CD LYS A 65 -8.433 12.720 -10.534 1.00 0.00 C ATOM 920 CE LYS A 65 -8.795 13.396 -11.848 1.00 0.00 C ATOM 921 NZ LYS A 65 -10.135 12.973 -12.341 1.00 0.00 N ATOM 0 H LYS A 65 -4.585 11.596 -9.683 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.185 13.976 -8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.728 11.411 -8.850 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.452 12.752 -7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.037 14.238 -9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.310 12.899 -10.801 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.451 11.638 -10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.180 12.964 -9.779 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.782 14.478 -11.715 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.041 13.158 -12.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.343 13.456 -13.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.140 11.944 -12.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.859 13.223 -11.637 1.00 0.00 H new ATOM 935 N GLU A 66 -4.963 11.214 -6.418 1.00 0.00 N ATOM 936 CA GLU A 66 -4.883 10.786 -5.011 1.00 0.00 C ATOM 937 C GLU A 66 -3.482 10.925 -4.426 1.00 0.00 C ATOM 938 O GLU A 66 -3.284 10.650 -3.244 1.00 0.00 O ATOM 939 CB GLU A 66 -5.403 9.358 -4.790 1.00 0.00 C ATOM 940 CG GLU A 66 -6.843 9.152 -5.240 1.00 0.00 C ATOM 941 CD GLU A 66 -7.368 7.767 -4.915 1.00 0.00 C ATOM 942 OE1 GLU A 66 -6.672 6.777 -5.226 1.00 0.00 O ATOM 943 OE2 GLU A 66 -8.473 7.674 -4.342 1.00 0.00 O ATOM 0 H GLU A 66 -4.820 10.475 -7.106 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.541 11.471 -4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.761 8.660 -5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.324 9.113 -3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.478 9.898 -4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.910 9.318 -6.315 1.00 0.00 H new ATOM 950 N VAL A 67 -2.497 11.308 -5.242 1.00 0.00 N ATOM 951 CA VAL A 67 -1.137 11.490 -4.734 1.00 0.00 C ATOM 952 C VAL A 67 -1.125 12.539 -3.611 1.00 0.00 C ATOM 953 O VAL A 67 -0.298 12.484 -2.703 1.00 0.00 O ATOM 954 CB VAL A 67 -0.138 11.881 -5.857 1.00 0.00 C ATOM 955 CG1 VAL A 67 -0.304 13.335 -6.280 1.00 0.00 C ATOM 956 CG2 VAL A 67 1.294 11.608 -5.418 1.00 0.00 C ATOM 0 H VAL A 67 -2.612 11.495 -6.238 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.808 10.532 -4.332 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.361 11.261 -6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.413 13.569 -7.067 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.316 13.492 -6.653 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.128 13.986 -5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.979 11.888 -6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.519 12.193 -4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.410 10.547 -5.195 1.00 0.00 H new ATOM 966 N ASP A 68 -2.074 13.480 -3.676 1.00 0.00 N ATOM 967 CA ASP A 68 -2.206 14.521 -2.655 1.00 0.00 C ATOM 968 C ASP A 68 -2.815 13.939 -1.381 1.00 0.00 C ATOM 969 O ASP A 68 -2.772 14.557 -0.317 1.00 0.00 O ATOM 970 CB ASP A 68 -3.070 15.682 -3.163 1.00 0.00 C ATOM 971 CG ASP A 68 -2.370 16.523 -4.214 1.00 0.00 C ATOM 972 OD1 ASP A 68 -1.139 16.385 -4.367 1.00 0.00 O ATOM 973 OD2 ASP A 68 -3.058 17.321 -4.886 1.00 0.00 O ATOM 0 H ASP A 68 -2.762 13.540 -4.427 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.210 14.904 -2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.995 15.284 -3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.347 16.317 -2.322 1.00 0.00 H new ATOM 978 N GLN A 69 -3.385 12.741 -1.508 1.00 0.00 N ATOM 979 CA GLN A 69 -4.004 12.041 -0.386 1.00 0.00 C ATOM 980 C GLN A 69 -3.010 11.059 0.226 1.00 0.00 C ATOM 981 O GLN A 69 -3.358 10.249 1.084 1.00 0.00 O ATOM 982 CB GLN A 69 -5.267 11.300 -0.840 1.00 0.00 C ATOM 983 CG GLN A 69 -6.337 12.207 -1.433 1.00 0.00 C ATOM 984 CD GLN A 69 -6.811 13.274 -0.462 1.00 0.00 C ATOM 985 OE1 GLN A 69 -6.652 14.467 -0.710 1.00 0.00 O ATOM 986 NE2 GLN A 69 -7.398 12.849 0.649 1.00 0.00 N ATOM 0 H GLN A 69 -3.430 12.231 -2.390 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.290 12.776 0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.990 10.550 -1.581 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.689 10.766 0.012 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.944 12.687 -2.329 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.188 11.601 -1.744 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.510 11.849 0.816 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -7.737 13.522 1.336 1.00 0.00 H new ATOM 995 N GLY A 70 -1.764 11.155 -0.224 1.00 0.00 N ATOM 996 CA GLY A 70 -0.703 10.299 0.273 1.00 0.00 C ATOM 997 C GLY A 70 -0.290 9.177 -0.671 1.00 0.00 C ATOM 998 O GLY A 70 0.704 8.515 -0.389 1.00 0.00 O ATOM 0 H GLY A 70 -1.467 11.822 -0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.171 10.915 0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.023 9.860 1.218 1.00 0.00 H new ATOM 1002 N LYS A 71 -1.020 8.981 -1.788 1.00 0.00 N ATOM 1003 CA LYS A 71 -0.677 7.954 -2.802 1.00 0.00 C ATOM 1004 C LYS A 71 -1.877 7.572 -3.659 1.00 0.00 C ATOM 1005 O LYS A 71 -2.998 7.445 -3.174 1.00 0.00 O ATOM 1006 CB LYS A 71 -0.096 6.663 -2.189 1.00 0.00 C ATOM 1007 CG LYS A 71 0.343 5.605 -3.218 1.00 0.00 C ATOM 1008 CD LYS A 71 1.236 6.175 -4.320 1.00 0.00 C ATOM 1009 CE LYS A 71 2.565 6.650 -3.784 1.00 0.00 C ATOM 1010 NZ LYS A 71 3.046 7.869 -4.487 1.00 0.00 N ATOM 0 H LYS A 71 -1.855 9.521 -2.014 1.00 0.00 H new ATOM 0 HA LYS A 71 0.088 8.425 -3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.761 6.925 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.843 6.221 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.876 4.806 -2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.542 5.158 -3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.404 5.413 -5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.725 7.005 -4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.472 6.859 -2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.303 5.855 -3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.083 7.838 -4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.627 7.909 -5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.765 8.714 -3.949 1.00 0.00 H new ATOM 1024 N SER A 72 -1.615 7.414 -4.945 1.00 0.00 N ATOM 1025 CA SER A 72 -2.615 6.976 -5.902 1.00 0.00 C ATOM 1026 C SER A 72 -2.024 5.900 -6.794 1.00 0.00 C ATOM 1027 O SER A 72 -2.741 5.103 -7.375 1.00 0.00 O ATOM 1028 CB SER A 72 -3.103 8.131 -6.746 1.00 0.00 C ATOM 1029 OG SER A 72 -4.391 7.863 -7.274 1.00 0.00 O ATOM 0 H SER A 72 -0.698 7.587 -5.356 1.00 0.00 H new ATOM 0 HA SER A 72 -3.466 6.574 -5.353 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.134 9.039 -6.144 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.402 8.313 -7.561 1.00 0.00 H new ATOM 0 HG SER A 72 -4.623 8.549 -7.934 1.00 0.00 H new ATOM 1035 N GLY A 73 -0.703 5.898 -6.921 1.00 0.00 N ATOM 1036 CA GLY A 73 -0.054 4.895 -7.736 1.00 0.00 C ATOM 1037 C GLY A 73 -0.388 3.487 -7.277 1.00 0.00 C ATOM 1038 O GLY A 73 -1.085 2.752 -7.971 1.00 0.00 O ATOM 0 H GLY A 73 -0.075 6.568 -6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.358 5.019 -8.775 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.026 5.042 -7.700 1.00 0.00 H new ATOM 1042 N THR A 74 0.082 3.117 -6.098 1.00 0.00 N ATOM 1043 CA THR A 74 -0.187 1.800 -5.556 1.00 0.00 C ATOM 1044 C THR A 74 -1.488 1.781 -4.748 1.00 0.00 C ATOM 1045 O THR A 74 -2.219 0.790 -4.759 1.00 0.00 O ATOM 1046 CB THR A 74 0.982 1.306 -4.684 1.00 0.00 C ATOM 1047 OG1 THR A 74 2.216 1.520 -5.378 1.00 0.00 O ATOM 1048 CG2 THR A 74 0.842 -0.175 -4.367 1.00 0.00 C ATOM 0 H THR A 74 0.653 3.713 -5.498 1.00 0.00 H new ATOM 0 HA THR A 74 -0.299 1.123 -6.403 1.00 0.00 H new ATOM 0 HB THR A 74 0.970 1.865 -3.748 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.485 2.458 -5.286 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.681 -0.496 -3.750 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.090 -0.345 -3.828 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.834 -0.747 -5.295 1.00 0.00 H new ATOM 1056 N ARG A 75 -1.773 2.891 -4.054 1.00 0.00 N ATOM 1057 CA ARG A 75 -2.963 2.986 -3.204 1.00 0.00 C ATOM 1058 C ARG A 75 -4.247 2.808 -4.008 1.00 0.00 C ATOM 1059 O ARG A 75 -5.136 2.060 -3.602 1.00 0.00 O ATOM 1060 CB ARG A 75 -3.011 4.332 -2.474 1.00 0.00 C ATOM 1061 CG ARG A 75 -4.118 4.405 -1.436 1.00 0.00 C ATOM 1062 CD ARG A 75 -4.043 5.671 -0.602 1.00 0.00 C ATOM 1063 NE ARG A 75 -5.122 5.734 0.380 1.00 0.00 N ATOM 1064 CZ ARG A 75 -5.204 6.655 1.331 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -6.222 6.644 2.183 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -4.268 7.590 1.431 1.00 0.00 N ATOM 0 H ARG A 75 -1.196 3.732 -4.066 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.892 2.179 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.052 4.510 -1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.151 5.130 -3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.085 4.359 -1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.056 3.536 -0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.082 5.713 -0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.094 6.542 -1.256 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.856 5.028 0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.943 5.926 2.107 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.283 7.353 2.914 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.486 7.600 0.777 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.331 8.298 2.162 1.00 0.00 H new ATOM 1080 N GLU A 76 -4.339 3.492 -5.147 1.00 0.00 N ATOM 1081 CA GLU A 76 -5.520 3.393 -5.998 1.00 0.00 C ATOM 1082 C GLU A 76 -5.721 1.959 -6.467 1.00 0.00 C ATOM 1083 O GLU A 76 -6.836 1.444 -6.447 1.00 0.00 O ATOM 1084 CB GLU A 76 -5.387 4.324 -7.207 1.00 0.00 C ATOM 1085 CG GLU A 76 -6.560 4.252 -8.171 1.00 0.00 C ATOM 1086 CD GLU A 76 -6.329 5.042 -9.444 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -5.265 5.684 -9.567 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -7.213 5.012 -10.326 1.00 0.00 O ATOM 0 H GLU A 76 -3.614 4.117 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.389 3.696 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.282 5.350 -6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.472 4.077 -7.745 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.750 3.209 -8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.455 4.627 -7.674 1.00 0.00 H new ATOM 1095 N LEU A 77 -4.631 1.325 -6.883 1.00 0.00 N ATOM 1096 CA LEU A 77 -4.675 -0.052 -7.361 1.00 0.00 C ATOM 1097 C LEU A 77 -5.133 -1.009 -6.256 1.00 0.00 C ATOM 1098 O LEU A 77 -6.015 -1.840 -6.473 1.00 0.00 O ATOM 1099 CB LEU A 77 -3.290 -0.464 -7.870 1.00 0.00 C ATOM 1100 CG LEU A 77 -3.182 -1.893 -8.405 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.084 -2.083 -9.615 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -1.739 -2.218 -8.753 1.00 0.00 C ATOM 0 H LEU A 77 -3.702 1.745 -6.899 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.397 -0.110 -8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.993 0.225 -8.661 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.573 -0.344 -7.058 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.512 -2.580 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.992 -3.106 -9.980 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.119 -1.890 -9.331 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.788 -1.389 -10.402 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.677 -3.238 -9.132 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.384 -1.525 -9.516 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.120 -2.125 -7.861 1.00 0.00 H new ATOM 1114 N LEU A 78 -4.535 -0.875 -5.069 1.00 0.00 N ATOM 1115 CA LEU A 78 -4.872 -1.731 -3.929 1.00 0.00 C ATOM 1116 C LEU A 78 -6.320 -1.505 -3.462 1.00 0.00 C ATOM 1117 O LEU A 78 -7.033 -2.457 -3.145 1.00 0.00 O ATOM 1118 CB LEU A 78 -3.874 -1.492 -2.777 1.00 0.00 C ATOM 1119 CG LEU A 78 -2.448 -1.987 -3.037 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -1.493 -1.477 -1.973 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -2.407 -3.499 -3.081 1.00 0.00 C ATOM 0 H LEU A 78 -3.814 -0.181 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.796 -2.770 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.838 -0.423 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.254 -1.982 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.132 -1.596 -4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.488 -1.843 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.491 -0.387 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.814 -1.834 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.385 -3.830 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.751 -3.900 -2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.055 -3.857 -3.880 1.00 0.00 H new ATOM 1133 N TRP A 79 -6.758 -0.250 -3.457 1.00 0.00 N ATOM 1134 CA TRP A 79 -8.114 0.108 -3.021 1.00 0.00 C ATOM 1135 C TRP A 79 -9.176 -0.112 -4.104 1.00 0.00 C ATOM 1136 O TRP A 79 -10.365 0.065 -3.841 1.00 0.00 O ATOM 1137 CB TRP A 79 -8.163 1.557 -2.538 1.00 0.00 C ATOM 1138 CG TRP A 79 -7.681 1.730 -1.128 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -6.433 2.104 -0.729 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -8.448 1.547 0.069 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -6.373 2.160 0.645 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -7.597 1.823 1.157 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -9.772 1.175 0.326 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -8.027 1.737 2.477 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -10.196 1.092 1.639 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -9.327 1.374 2.701 1.00 0.00 C ATOM 0 H TRP A 79 -6.192 0.546 -3.752 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.352 -0.565 -2.197 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -7.556 2.174 -3.200 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -9.187 1.923 -2.612 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -5.611 2.324 -1.394 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.550 2.412 1.193 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.450 0.957 -0.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.357 1.950 3.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -11.215 0.805 1.850 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.690 1.304 3.716 1.00 0.00 H new ATOM 1157 N SER A 80 -8.755 -0.474 -5.314 1.00 0.00 N ATOM 1158 CA SER A 80 -9.695 -0.688 -6.421 1.00 0.00 C ATOM 1159 C SER A 80 -10.721 -1.779 -6.107 1.00 0.00 C ATOM 1160 O SER A 80 -11.891 -1.647 -6.466 1.00 0.00 O ATOM 1161 CB SER A 80 -8.947 -1.052 -7.707 1.00 0.00 C ATOM 1162 OG SER A 80 -8.192 0.042 -8.194 1.00 0.00 O ATOM 0 H SER A 80 -7.776 -0.626 -5.556 1.00 0.00 H new ATOM 0 HA SER A 80 -10.230 0.251 -6.561 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.285 -1.897 -7.518 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.661 -1.370 -8.467 1.00 0.00 H new ATOM 0 HG SER A 80 -7.866 0.576 -7.440 1.00 0.00 H new ATOM 1168 N TRP A 81 -10.288 -2.857 -5.460 1.00 0.00 N ATOM 1169 CA TRP A 81 -11.205 -3.945 -5.123 1.00 0.00 C ATOM 1170 C TRP A 81 -11.914 -3.682 -3.790 1.00 0.00 C ATOM 1171 O TRP A 81 -12.989 -3.084 -3.761 1.00 0.00 O ATOM 1172 CB TRP A 81 -10.451 -5.277 -5.086 1.00 0.00 C ATOM 1173 CG TRP A 81 -10.283 -5.899 -6.441 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -9.144 -5.935 -7.191 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -11.292 -6.575 -7.204 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -9.381 -6.592 -8.374 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -10.690 -6.992 -8.406 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -12.641 -6.864 -6.987 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -11.395 -7.686 -9.387 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -13.338 -7.553 -7.963 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -12.715 -7.958 -9.149 1.00 0.00 C ATOM 0 H TRP A 81 -9.323 -3.002 -5.162 1.00 0.00 H new ATOM 0 HA TRP A 81 -11.971 -3.998 -5.897 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -9.468 -5.119 -4.642 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -10.985 -5.972 -4.438 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -8.196 -5.510 -6.898 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -8.693 -6.755 -9.109 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.130 -6.556 -6.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -10.916 -7.998 -10.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -14.382 -7.783 -7.807 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -13.287 -8.496 -9.891 1.00 0.00 H new ATOM 1192 N ALA A 82 -11.318 -4.137 -2.689 1.00 0.00 N ATOM 1193 CA ALA A 82 -11.896 -3.919 -1.363 1.00 0.00 C ATOM 1194 C ALA A 82 -11.075 -2.886 -0.598 1.00 0.00 C ATOM 1195 O ALA A 82 -11.374 -1.693 -0.620 1.00 0.00 O ATOM 1196 CB ALA A 82 -11.974 -5.232 -0.593 1.00 0.00 C ATOM 0 H ALA A 82 -10.440 -4.656 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.910 -3.536 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.406 -5.051 0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.599 -5.938 -1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.973 -5.647 -0.479 1.00 0.00 H new ATOM 1202 N GLN A 83 -10.042 -3.364 0.085 1.00 0.00 N ATOM 1203 CA GLN A 83 -9.132 -2.497 0.823 1.00 0.00 C ATOM 1204 C GLN A 83 -7.779 -2.552 0.133 1.00 0.00 C ATOM 1205 O GLN A 83 -7.219 -1.533 -0.261 1.00 0.00 O ATOM 1206 CB GLN A 83 -9.005 -2.941 2.285 1.00 0.00 C ATOM 1207 CG GLN A 83 -10.152 -2.483 3.178 1.00 0.00 C ATOM 1208 CD GLN A 83 -11.429 -3.273 2.948 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -11.411 -4.501 2.910 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -12.542 -2.569 2.794 1.00 0.00 N ATOM 0 H GLN A 83 -9.813 -4.356 0.143 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.518 -1.478 0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.945 -4.029 2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.069 -2.557 2.690 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.854 -2.579 4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.347 -1.426 2.998 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.511 -1.550 2.833 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -13.430 -3.046 2.637 1.00 0.00 H new ATOM 1219 N LYS A 84 -7.256 -3.767 0.014 1.00 0.00 N ATOM 1220 CA LYS A 84 -6.008 -4.005 -0.695 1.00 0.00 C ATOM 1221 C LYS A 84 -6.210 -5.180 -1.657 1.00 0.00 C ATOM 1222 O LYS A 84 -5.801 -5.127 -2.816 1.00 0.00 O ATOM 1223 CB LYS A 84 -4.861 -4.282 0.293 1.00 0.00 C ATOM 1224 CG LYS A 84 -3.739 -5.128 -0.288 1.00 0.00 C ATOM 1225 CD LYS A 84 -2.476 -5.083 0.553 1.00 0.00 C ATOM 1226 CE LYS A 84 -2.674 -5.775 1.887 1.00 0.00 C ATOM 1227 NZ LYS A 84 -3.244 -7.139 1.715 1.00 0.00 N ATOM 0 H LYS A 84 -7.682 -4.608 0.404 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.731 -3.117 -1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.448 -3.332 0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.265 -4.785 1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.076 -6.161 -0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.512 -4.781 -1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.659 -5.561 0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.185 -4.046 0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.719 -5.842 2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.338 -5.178 2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.740 -7.806 2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.253 -7.128 1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.137 -7.437 0.724 1.00 0.00 H new ATOM 1241 N ASN A 85 -6.881 -6.222 -1.145 1.00 0.00 N ATOM 1242 CA ASN A 85 -7.217 -7.441 -1.902 1.00 0.00 C ATOM 1243 C ASN A 85 -6.012 -8.037 -2.639 1.00 0.00 C ATOM 1244 O ASN A 85 -6.163 -8.680 -3.679 1.00 0.00 O ATOM 1245 CB ASN A 85 -8.350 -7.166 -2.895 1.00 0.00 C ATOM 1246 CG ASN A 85 -9.108 -8.429 -3.261 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -9.373 -9.274 -2.407 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -9.456 -8.569 -4.534 1.00 0.00 N ATOM 0 H ASN A 85 -7.211 -6.244 -0.180 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.544 -8.178 -1.168 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.041 -6.441 -2.464 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.938 -6.716 -3.798 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.963 -9.401 -4.836 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.217 -7.844 -5.211 1.00 0.00 H new ATOM 1255 N LYS A 86 -4.820 -7.829 -2.101 1.00 0.00 N ATOM 1256 CA LYS A 86 -3.606 -8.361 -2.706 1.00 0.00 C ATOM 1257 C LYS A 86 -2.735 -8.963 -1.625 1.00 0.00 C ATOM 1258 O LYS A 86 -2.550 -8.355 -0.573 1.00 0.00 O ATOM 1259 CB LYS A 86 -2.812 -7.264 -3.436 1.00 0.00 C ATOM 1260 CG LYS A 86 -3.619 -6.503 -4.473 1.00 0.00 C ATOM 1261 CD LYS A 86 -2.759 -5.936 -5.585 1.00 0.00 C ATOM 1262 CE LYS A 86 -3.623 -5.278 -6.643 1.00 0.00 C ATOM 1263 NZ LYS A 86 -4.358 -4.113 -6.092 1.00 0.00 N ATOM 0 H LYS A 86 -4.666 -7.295 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.894 -9.118 -3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.427 -6.558 -2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.949 -7.718 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.369 -7.167 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.156 -5.690 -3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.058 -5.208 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.166 -6.732 -6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.999 -4.956 -7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.333 -6.004 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.979 -3.715 -6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.933 -4.417 -5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.679 -3.388 -5.783 1.00 0.00 H new ATOM 1277 N THR A 87 -2.204 -10.150 -1.854 1.00 0.00 N ATOM 1278 CA THR A 87 -1.340 -10.758 -0.863 1.00 0.00 C ATOM 1279 C THR A 87 0.077 -10.227 -1.026 1.00 0.00 C ATOM 1280 O THR A 87 0.428 -9.695 -2.085 1.00 0.00 O ATOM 1281 CB THR A 87 -1.339 -12.295 -0.941 1.00 0.00 C ATOM 1282 OG1 THR A 87 -0.739 -12.732 -2.168 1.00 0.00 O ATOM 1283 CG2 THR A 87 -2.756 -12.843 -0.846 1.00 0.00 C ATOM 0 H THR A 87 -2.352 -10.701 -2.699 1.00 0.00 H new ATOM 0 HA THR A 87 -1.731 -10.490 0.119 1.00 0.00 H new ATOM 0 HB THR A 87 -0.758 -12.673 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.743 -13.711 -2.204 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.730 -13.931 -0.903 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.200 -12.540 0.102 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.354 -12.451 -1.669 1.00 0.00 H new ATOM 1291 N ILE A 88 0.887 -10.377 0.014 1.00 0.00 N ATOM 1292 CA ILE A 88 2.262 -9.894 -0.015 1.00 0.00 C ATOM 1293 C ILE A 88 3.059 -10.563 -1.139 1.00 0.00 C ATOM 1294 O ILE A 88 3.833 -9.901 -1.825 1.00 0.00 O ATOM 1295 CB ILE A 88 2.940 -10.095 1.369 1.00 0.00 C ATOM 1296 CG1 ILE A 88 2.790 -8.816 2.206 1.00 0.00 C ATOM 1297 CG2 ILE A 88 4.410 -10.476 1.241 1.00 0.00 C ATOM 1298 CD1 ILE A 88 1.401 -8.612 2.767 1.00 0.00 C ATOM 0 H ILE A 88 0.616 -10.829 0.887 1.00 0.00 H new ATOM 0 HA ILE A 88 2.246 -8.825 -0.225 1.00 0.00 H new ATOM 0 HB ILE A 88 2.439 -10.924 1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.503 -8.846 3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.052 -7.957 1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.840 -10.606 2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.497 -11.409 0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.946 -9.687 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.374 -7.689 3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.684 -8.548 1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.142 -9.452 3.412 1.00 0.00 H new ATOM 1310 N GLY A 89 2.844 -11.862 -1.334 1.00 0.00 N ATOM 1311 CA GLY A 89 3.545 -12.590 -2.383 1.00 0.00 C ATOM 1312 C GLY A 89 3.219 -12.096 -3.787 1.00 0.00 C ATOM 1313 O GLY A 89 4.106 -12.014 -4.639 1.00 0.00 O ATOM 0 H GLY A 89 2.196 -12.426 -0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.619 -12.506 -2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.293 -13.648 -2.311 1.00 0.00 H new ATOM 1317 N ASP A 90 1.947 -11.779 -4.030 1.00 0.00 N ATOM 1318 CA ASP A 90 1.501 -11.311 -5.348 1.00 0.00 C ATOM 1319 C ASP A 90 2.148 -9.980 -5.743 1.00 0.00 C ATOM 1320 O ASP A 90 2.663 -9.839 -6.852 1.00 0.00 O ATOM 1321 CB ASP A 90 -0.023 -11.166 -5.368 1.00 0.00 C ATOM 1322 CG ASP A 90 -0.548 -10.750 -6.729 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -0.442 -11.555 -7.678 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -1.069 -9.621 -6.843 1.00 0.00 O ATOM 0 H ASP A 90 1.205 -11.837 -3.333 1.00 0.00 H new ATOM 0 HA ASP A 90 1.814 -12.060 -6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.479 -12.113 -5.080 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.325 -10.428 -4.625 1.00 0.00 H new ATOM 1329 N LEU A 91 2.121 -9.013 -4.832 1.00 0.00 N ATOM 1330 CA LEU A 91 2.699 -7.691 -5.091 1.00 0.00 C ATOM 1331 C LEU A 91 4.231 -7.738 -5.006 1.00 0.00 C ATOM 1332 O LEU A 91 4.918 -6.918 -5.617 1.00 0.00 O ATOM 1333 CB LEU A 91 2.112 -6.654 -4.114 1.00 0.00 C ATOM 1334 CG LEU A 91 2.035 -5.189 -4.607 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.457 -5.059 -6.064 1.00 0.00 C ATOM 1336 CD2 LEU A 91 0.625 -4.650 -4.434 1.00 0.00 C ATOM 0 H LEU A 91 1.706 -9.116 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 91 2.438 -7.387 -6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.105 -6.974 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.708 -6.673 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 91 2.728 -4.605 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.389 -4.015 -6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.485 -5.404 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.800 -5.665 -6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.584 -3.619 -4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.070 -5.258 -5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.348 -4.686 -3.380 1.00 0.00 H new ATOM 1348 N LEU A 92 4.757 -8.717 -4.268 1.00 0.00 N ATOM 1349 CA LEU A 92 6.206 -8.881 -4.102 1.00 0.00 C ATOM 1350 C LEU A 92 6.903 -9.078 -5.447 1.00 0.00 C ATOM 1351 O LEU A 92 7.993 -8.550 -5.668 1.00 0.00 O ATOM 1352 CB LEU A 92 6.507 -10.072 -3.184 1.00 0.00 C ATOM 1353 CG LEU A 92 7.992 -10.354 -2.927 1.00 0.00 C ATOM 1354 CD1 LEU A 92 8.657 -9.169 -2.241 1.00 0.00 C ATOM 1355 CD2 LEU A 92 8.156 -11.615 -2.091 1.00 0.00 C ATOM 0 H LEU A 92 4.199 -9.413 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 92 6.591 -7.968 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.017 -9.901 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.056 -10.965 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 92 8.482 -10.509 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.710 -9.392 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.572 -8.287 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.166 -8.978 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.216 -11.801 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.649 -11.486 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.721 -12.462 -2.621 1.00 0.00 H new ATOM 1367 N GLN A 93 6.271 -9.838 -6.338 1.00 0.00 N ATOM 1368 CA GLN A 93 6.837 -10.101 -7.660 1.00 0.00 C ATOM 1369 C GLN A 93 7.017 -8.794 -8.434 1.00 0.00 C ATOM 1370 O GLN A 93 8.027 -8.595 -9.114 1.00 0.00 O ATOM 1371 CB GLN A 93 5.921 -11.050 -8.434 1.00 0.00 C ATOM 1372 CG GLN A 93 5.895 -12.460 -7.867 1.00 0.00 C ATOM 1373 CD GLN A 93 4.847 -13.331 -8.524 1.00 0.00 C ATOM 1374 OE1 GLN A 93 5.060 -13.867 -9.611 1.00 0.00 O ATOM 1375 NE2 GLN A 93 3.703 -13.474 -7.870 1.00 0.00 N ATOM 0 H GLN A 93 5.368 -10.282 -6.170 1.00 0.00 H new ATOM 0 HA GLN A 93 7.815 -10.567 -7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.908 -10.647 -8.433 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.247 -11.090 -9.473 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.876 -12.918 -7.996 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.704 -12.413 -6.795 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.568 -13.012 -6.971 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.957 -14.046 -8.266 1.00 0.00 H new ATOM 1384 N VAL A 94 6.028 -7.909 -8.327 1.00 0.00 N ATOM 1385 CA VAL A 94 6.080 -6.607 -8.983 1.00 0.00 C ATOM 1386 C VAL A 94 7.173 -5.748 -8.341 1.00 0.00 C ATOM 1387 O VAL A 94 7.918 -5.043 -9.027 1.00 0.00 O ATOM 1388 CB VAL A 94 4.719 -5.880 -8.902 1.00 0.00 C ATOM 1389 CG1 VAL A 94 4.814 -4.466 -9.455 1.00 0.00 C ATOM 1390 CG2 VAL A 94 3.644 -6.673 -9.633 1.00 0.00 C ATOM 0 H VAL A 94 5.177 -8.073 -7.789 1.00 0.00 H new ATOM 0 HA VAL A 94 6.312 -6.766 -10.036 1.00 0.00 H new ATOM 0 HB VAL A 94 4.441 -5.808 -7.851 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.840 -3.981 -9.384 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.545 -3.898 -8.879 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.125 -4.504 -10.499 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.693 -6.145 -9.565 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.923 -6.784 -10.681 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.546 -7.658 -9.177 1.00 0.00 H new ATOM 1400 N LEU A 95 7.260 -5.827 -7.011 1.00 0.00 N ATOM 1401 CA LEU A 95 8.257 -5.079 -6.239 1.00 0.00 C ATOM 1402 C LEU A 95 9.671 -5.472 -6.663 1.00 0.00 C ATOM 1403 O LEU A 95 10.560 -4.622 -6.756 1.00 0.00 O ATOM 1404 CB LEU A 95 8.084 -5.351 -4.737 1.00 0.00 C ATOM 1405 CG LEU A 95 7.193 -4.365 -3.968 1.00 0.00 C ATOM 1406 CD1 LEU A 95 5.871 -4.141 -4.684 1.00 0.00 C ATOM 1407 CD2 LEU A 95 6.943 -4.877 -2.558 1.00 0.00 C ATOM 0 H LEU A 95 6.645 -6.408 -6.441 1.00 0.00 H new ATOM 0 HA LEU A 95 8.107 -4.017 -6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.671 -6.352 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.071 -5.355 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 95 7.715 -3.409 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.263 -3.438 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.060 -3.735 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.341 -5.089 -4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.310 -4.170 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.446 -5.846 -2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.894 -4.982 -2.035 1.00 0.00 H new ATOM 1419 N GLN A 96 9.868 -6.767 -6.906 1.00 0.00 N ATOM 1420 CA GLN A 96 11.164 -7.287 -7.335 1.00 0.00 C ATOM 1421 C GLN A 96 11.557 -6.711 -8.694 1.00 0.00 C ATOM 1422 O GLN A 96 12.722 -6.388 -8.925 1.00 0.00 O ATOM 1423 CB GLN A 96 11.128 -8.816 -7.409 1.00 0.00 C ATOM 1424 CG GLN A 96 11.044 -9.492 -6.048 1.00 0.00 C ATOM 1425 CD GLN A 96 10.794 -10.984 -6.152 1.00 0.00 C ATOM 1426 OE1 GLN A 96 10.155 -11.454 -7.091 1.00 0.00 O ATOM 1427 NE2 GLN A 96 11.300 -11.737 -5.186 1.00 0.00 N ATOM 0 H GLN A 96 9.142 -7.478 -6.812 1.00 0.00 H new ATOM 0 HA GLN A 96 11.909 -6.984 -6.600 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.272 -9.122 -8.010 1.00 0.00 H new ATOM 0 HB3 GLN A 96 12.022 -9.167 -7.925 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.972 -9.320 -5.503 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.244 -9.033 -5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.824 -11.306 -4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.165 -12.748 -5.204 1.00 0.00 H new ATOM 1436 N GLU A 97 10.577 -6.596 -9.591 1.00 0.00 N ATOM 1437 CA GLU A 97 10.812 -6.043 -10.925 1.00 0.00 C ATOM 1438 C GLU A 97 11.239 -4.580 -10.836 1.00 0.00 C ATOM 1439 O GLU A 97 12.129 -4.136 -11.560 1.00 0.00 O ATOM 1440 CB GLU A 97 9.548 -6.167 -11.780 1.00 0.00 C ATOM 1441 CG GLU A 97 9.202 -7.599 -12.168 1.00 0.00 C ATOM 1442 CD GLU A 97 10.300 -8.274 -12.968 1.00 0.00 C ATOM 1443 OE1 GLU A 97 10.773 -7.672 -13.954 1.00 0.00 O ATOM 1444 OE2 GLU A 97 10.684 -9.407 -12.608 1.00 0.00 O ATOM 0 H GLU A 97 9.612 -6.879 -9.418 1.00 0.00 H new ATOM 0 HA GLU A 97 11.616 -6.611 -11.393 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.709 -5.736 -11.234 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.676 -5.576 -12.687 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.008 -8.178 -11.265 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.281 -7.600 -12.751 1.00 0.00 H new ATOM 1451 N MET A 98 10.580 -3.834 -9.951 1.00 0.00 N ATOM 1452 CA MET A 98 10.892 -2.422 -9.746 1.00 0.00 C ATOM 1453 C MET A 98 12.250 -2.252 -9.062 1.00 0.00 C ATOM 1454 O MET A 98 13.013 -1.345 -9.393 1.00 0.00 O ATOM 1455 CB MET A 98 9.791 -1.741 -8.928 1.00 0.00 C ATOM 1456 CG MET A 98 9.905 -0.222 -8.896 1.00 0.00 C ATOM 1457 SD MET A 98 9.879 0.510 -10.543 1.00 0.00 S ATOM 1458 CE MET A 98 11.496 1.277 -10.607 1.00 0.00 C ATOM 0 H MET A 98 9.824 -4.186 -9.363 1.00 0.00 H new ATOM 0 HA MET A 98 10.944 -1.944 -10.724 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.821 -2.015 -9.341 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.821 -2.121 -7.907 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.084 0.188 -8.307 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.830 0.059 -8.392 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.443 2.188 -11.204 1.00 0.00 H new ATOM 0 HE2 MET A 98 11.822 1.524 -9.597 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.208 0.587 -11.060 1.00 0.00 H new ATOM 1468 N GLY A 99 12.546 -3.133 -8.108 1.00 0.00 N ATOM 1469 CA GLY A 99 13.809 -3.052 -7.397 1.00 0.00 C ATOM 1470 C GLY A 99 13.720 -2.210 -6.139 1.00 0.00 C ATOM 1471 O GLY A 99 14.703 -1.590 -5.730 1.00 0.00 O ATOM 0 H GLY A 99 11.936 -3.897 -7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.138 -4.057 -7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.567 -2.631 -8.058 1.00 0.00 H new ATOM 1475 N HIS A 100 12.541 -2.183 -5.524 1.00 0.00 N ATOM 1476 CA HIS A 100 12.330 -1.406 -4.306 1.00 0.00 C ATOM 1477 C HIS A 100 12.948 -2.106 -3.093 1.00 0.00 C ATOM 1478 O HIS A 100 12.359 -3.030 -2.526 1.00 0.00 O ATOM 1479 CB HIS A 100 10.836 -1.175 -4.070 1.00 0.00 C ATOM 1480 CG HIS A 100 10.542 0.036 -3.242 1.00 0.00 C ATOM 1481 ND1 HIS A 100 9.358 0.629 -2.951 1.00 0.00 N flip ATOM 1482 CD2 HIS A 100 11.509 0.782 -2.601 1.00 0.00 C flip ATOM 1483 CE1 HIS A 100 9.590 1.731 -2.134 1.00 0.00 C flip ATOM 1484 NE2 HIS A 100 10.894 1.779 -1.954 1.00 0.00 N flip ATOM 0 H HIS A 100 11.717 -2.690 -5.849 1.00 0.00 H new ATOM 0 HA HIS A 100 12.822 -0.442 -4.435 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.335 -1.077 -5.033 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.414 -2.052 -3.579 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.573 0.595 -2.618 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.852 2.408 -1.730 1.00 0.00 H new ATOM 0 HE2 HIS A 100 11.373 2.484 -1.394 1.00 0.00 H new ATOM 1491 N ARG A 101 14.136 -1.650 -2.710 1.00 0.00 N ATOM 1492 CA ARG A 101 14.868 -2.217 -1.578 1.00 0.00 C ATOM 1493 C ARG A 101 14.144 -2.014 -0.247 1.00 0.00 C ATOM 1494 O ARG A 101 14.093 -2.927 0.579 1.00 0.00 O ATOM 1495 CB ARG A 101 16.252 -1.576 -1.500 1.00 0.00 C ATOM 1496 CG ARG A 101 17.177 -1.979 -2.636 1.00 0.00 C ATOM 1497 CD ARG A 101 18.490 -1.214 -2.584 1.00 0.00 C ATOM 1498 NE ARG A 101 19.252 -1.513 -1.377 1.00 0.00 N ATOM 1499 CZ ARG A 101 20.360 -0.868 -1.021 1.00 0.00 C ATOM 1500 NH1 ARG A 101 20.993 -1.199 0.095 1.00 0.00 N ATOM 1501 NH2 ARG A 101 20.835 0.107 -1.788 1.00 0.00 N ATOM 0 H ARG A 101 14.619 -0.880 -3.172 1.00 0.00 H new ATOM 0 HA ARG A 101 14.946 -3.291 -1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.141 -0.492 -1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.716 -1.848 -0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 101 17.376 -3.049 -2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 101 16.685 -1.794 -3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.088 -1.462 -3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.288 -0.144 -2.629 1.00 0.00 H new ATOM 0 HE ARG A 101 18.916 -2.261 -0.770 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.631 -1.950 0.683 1.00 0.00 H new ATOM 0 HH12 ARG A 101 21.842 -0.703 0.366 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.350 0.361 -2.649 1.00 0.00 H new ATOM 0 HH22 ARG A 101 21.684 0.602 -1.516 1.00 0.00 H new ATOM 1515 N ARG A 102 13.581 -0.822 -0.043 1.00 0.00 N ATOM 1516 CA ARG A 102 12.873 -0.510 1.201 1.00 0.00 C ATOM 1517 C ARG A 102 11.668 -1.423 1.381 1.00 0.00 C ATOM 1518 O ARG A 102 11.393 -1.907 2.483 1.00 0.00 O ATOM 1519 CB ARG A 102 12.421 0.953 1.221 1.00 0.00 C ATOM 1520 CG ARG A 102 11.696 1.347 2.503 1.00 0.00 C ATOM 1521 CD ARG A 102 12.631 1.333 3.703 1.00 0.00 C ATOM 1522 NE ARG A 102 11.951 1.725 4.936 1.00 0.00 N ATOM 1523 CZ ARG A 102 11.796 2.987 5.331 1.00 0.00 C ATOM 1524 NH1 ARG A 102 11.163 3.254 6.465 1.00 0.00 N ATOM 1525 NH2 ARG A 102 12.278 3.981 4.591 1.00 0.00 N ATOM 0 H ARG A 102 13.601 -0.059 -0.720 1.00 0.00 H new ATOM 0 HA ARG A 102 13.566 -0.674 2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.292 1.596 1.093 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.763 1.134 0.371 1.00 0.00 H new ATOM 0 HG2 ARG A 102 11.267 2.342 2.387 1.00 0.00 H new ATOM 0 HG3 ARG A 102 10.868 0.661 2.679 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.051 0.334 3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.466 2.010 3.519 1.00 0.00 H new ATOM 0 HE ARG A 102 11.572 0.987 5.530 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.795 2.493 7.035 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.044 4.221 6.767 1.00 0.00 H new ATOM 0 HH21 ARG A 102 12.767 3.777 3.719 1.00 0.00 H new ATOM 0 HH22 ARG A 102 12.159 4.947 4.895 1.00 0.00 H new ATOM 1539 N ALA A 103 10.955 -1.656 0.285 1.00 0.00 N ATOM 1540 CA ALA A 103 9.773 -2.510 0.303 1.00 0.00 C ATOM 1541 C ALA A 103 10.137 -3.924 0.736 1.00 0.00 C ATOM 1542 O ALA A 103 9.399 -4.556 1.483 1.00 0.00 O ATOM 1543 CB ALA A 103 9.114 -2.528 -1.064 1.00 0.00 C ATOM 0 H ALA A 103 11.176 -1.264 -0.630 1.00 0.00 H new ATOM 0 HA ALA A 103 9.066 -2.102 1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.233 -3.170 -1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.817 -1.516 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.818 -2.912 -1.802 1.00 0.00 H new ATOM 1549 N ILE A 104 11.280 -4.407 0.259 1.00 0.00 N ATOM 1550 CA ILE A 104 11.757 -5.745 0.593 1.00 0.00 C ATOM 1551 C ILE A 104 12.024 -5.877 2.098 1.00 0.00 C ATOM 1552 O ILE A 104 11.638 -6.865 2.723 1.00 0.00 O ATOM 1553 CB ILE A 104 13.047 -6.088 -0.192 1.00 0.00 C ATOM 1554 CG1 ILE A 104 12.766 -6.130 -1.697 1.00 0.00 C ATOM 1555 CG2 ILE A 104 13.636 -7.415 0.276 1.00 0.00 C ATOM 1556 CD1 ILE A 104 11.738 -7.168 -2.102 1.00 0.00 C ATOM 0 H ILE A 104 11.897 -3.887 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 104 10.973 -6.447 0.310 1.00 0.00 H new ATOM 0 HB ILE A 104 13.778 -5.304 0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 104 12.422 -5.147 -2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.698 -6.331 -2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 104 14.541 -7.632 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 104 13.879 -7.351 1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 104 12.909 -8.212 0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 104 11.594 -7.136 -3.182 1.00 0.00 H new ATOM 0 HD12 ILE A 104 12.088 -8.159 -1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 104 10.792 -6.957 -1.604 1.00 0.00 H new ATOM 1568 N HIS A 105 12.687 -4.876 2.672 1.00 0.00 N ATOM 1569 CA HIS A 105 13.013 -4.893 4.096 1.00 0.00 C ATOM 1570 C HIS A 105 11.771 -4.809 4.992 1.00 0.00 C ATOM 1571 O HIS A 105 11.686 -5.506 6.000 1.00 0.00 O ATOM 1572 CB HIS A 105 13.972 -3.749 4.439 1.00 0.00 C ATOM 1573 CG HIS A 105 15.375 -3.973 3.959 1.00 0.00 C ATOM 1574 ND1 HIS A 105 16.246 -4.877 4.526 1.00 0.00 N ATOM 1575 CD2 HIS A 105 16.055 -3.387 2.942 1.00 0.00 C ATOM 1576 CE1 HIS A 105 17.402 -4.812 3.854 1.00 0.00 C ATOM 1577 NE2 HIS A 105 17.339 -3.923 2.881 1.00 0.00 N ATOM 0 H HIS A 105 13.008 -4.045 2.175 1.00 0.00 H new ATOM 0 HA HIS A 105 13.493 -5.852 4.292 1.00 0.00 H new ATOM 0 HB2 HIS A 105 13.592 -2.825 4.003 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.985 -3.610 5.520 1.00 0.00 H new ATOM 0 HD2 HIS A 105 15.663 -2.626 2.284 1.00 0.00 H new ATOM 0 HE1 HIS A 105 18.273 -5.410 4.079 1.00 0.00 H new ATOM 0 HE2 HIS A 105 18.077 -3.679 2.221 1.00 0.00 H new ATOM 1584 N LEU A 106 10.802 -3.972 4.620 1.00 0.00 N ATOM 1585 CA LEU A 106 9.591 -3.812 5.431 1.00 0.00 C ATOM 1586 C LEU A 106 8.531 -4.881 5.143 1.00 0.00 C ATOM 1587 O LEU A 106 7.659 -5.130 5.977 1.00 0.00 O ATOM 1588 CB LEU A 106 9.000 -2.409 5.253 1.00 0.00 C ATOM 1589 CG LEU A 106 8.824 -1.616 6.556 1.00 0.00 C ATOM 1590 CD1 LEU A 106 10.116 -1.610 7.361 1.00 0.00 C ATOM 1591 CD2 LEU A 106 8.377 -0.192 6.270 1.00 0.00 C ATOM 0 H LEU A 106 10.828 -3.401 3.775 1.00 0.00 H new ATOM 0 HA LEU A 106 9.895 -3.944 6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.644 -1.841 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.030 -2.498 4.764 1.00 0.00 H new ATOM 0 HG LEU A 106 8.049 -2.108 7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.969 -1.043 8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.396 -2.634 7.607 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.909 -1.149 6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.260 0.348 7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.126 0.308 5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.425 -0.209 5.740 1.00 0.00 H new ATOM 1603 N ILE A 107 8.594 -5.508 3.971 1.00 0.00 N ATOM 1604 CA ILE A 107 7.625 -6.544 3.601 1.00 0.00 C ATOM 1605 C ILE A 107 7.756 -7.778 4.503 1.00 0.00 C ATOM 1606 O ILE A 107 6.825 -8.580 4.620 1.00 0.00 O ATOM 1607 CB ILE A 107 7.750 -6.950 2.108 1.00 0.00 C ATOM 1608 CG1 ILE A 107 6.425 -7.525 1.602 1.00 0.00 C ATOM 1609 CG2 ILE A 107 8.875 -7.956 1.896 1.00 0.00 C ATOM 1610 CD1 ILE A 107 6.340 -7.619 0.095 1.00 0.00 C ATOM 0 H ILE A 107 9.302 -5.320 3.261 1.00 0.00 H new ATOM 0 HA ILE A 107 6.634 -6.114 3.747 1.00 0.00 H new ATOM 0 HB ILE A 107 7.991 -6.053 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 107 6.284 -8.518 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.607 -6.903 1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.934 -8.218 0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 107 9.820 -7.517 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.676 -8.853 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 107 5.374 -8.035 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.449 -6.625 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.136 -8.265 -0.275 1.00 0.00 H new ATOM 1622 N THR A 108 8.913 -7.918 5.149 1.00 0.00 N ATOM 1623 CA THR A 108 9.178 -9.047 6.037 1.00 0.00 C ATOM 1624 C THR A 108 8.347 -8.968 7.322 1.00 0.00 C ATOM 1625 O THR A 108 8.297 -9.926 8.093 1.00 0.00 O ATOM 1626 CB THR A 108 10.672 -9.128 6.413 1.00 0.00 C ATOM 1627 OG1 THR A 108 11.071 -7.945 7.117 1.00 0.00 O ATOM 1628 CG2 THR A 108 11.538 -9.302 5.174 1.00 0.00 C ATOM 0 H THR A 108 9.687 -7.258 5.072 1.00 0.00 H new ATOM 0 HA THR A 108 8.894 -9.944 5.486 1.00 0.00 H new ATOM 0 HB THR A 108 10.809 -9.996 7.058 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.230 -7.221 6.476 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.586 -9.356 5.468 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.257 -10.221 4.660 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.392 -8.453 4.506 1.00 0.00 H new ATOM 1636 N ASN A 109 7.689 -7.827 7.538 1.00 0.00 N ATOM 1637 CA ASN A 109 6.866 -7.627 8.735 1.00 0.00 C ATOM 1638 C ASN A 109 5.595 -8.477 8.701 1.00 0.00 C ATOM 1639 O ASN A 109 4.951 -8.668 9.732 1.00 0.00 O ATOM 1640 CB ASN A 109 6.492 -6.150 8.896 1.00 0.00 C ATOM 1641 CG ASN A 109 7.666 -5.295 9.335 1.00 0.00 C ATOM 1642 OD1 ASN A 109 8.652 -5.798 9.869 1.00 0.00 O ATOM 1643 ND2 ASN A 109 7.564 -3.991 9.114 1.00 0.00 N ATOM 0 H ASN A 109 7.709 -7.029 6.903 1.00 0.00 H new ATOM 0 HA ASN A 109 7.464 -7.944 9.589 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.106 -5.772 7.950 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.688 -6.060 9.627 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.321 -3.366 9.390 1.00 0.00 H new ATOM 0 HD22 ASN A 109 6.728 -3.613 8.668 1.00 0.00 H new ATOM 1650 N TYR A 110 5.228 -8.963 7.514 1.00 0.00 N ATOM 1651 CA TYR A 110 4.039 -9.804 7.361 1.00 0.00 C ATOM 1652 C TYR A 110 4.173 -11.075 8.206 1.00 0.00 C ATOM 1653 O TYR A 110 3.259 -11.438 8.948 1.00 0.00 O ATOM 1654 CB TYR A 110 3.815 -10.156 5.884 1.00 0.00 C ATOM 1655 CG TYR A 110 2.647 -11.093 5.643 1.00 0.00 C ATOM 1656 CD1 TYR A 110 1.332 -10.639 5.713 1.00 0.00 C ATOM 1657 CD2 TYR A 110 2.859 -12.432 5.340 1.00 0.00 C ATOM 1658 CE1 TYR A 110 0.271 -11.493 5.494 1.00 0.00 C ATOM 1659 CE2 TYR A 110 1.800 -13.291 5.117 1.00 0.00 C ATOM 1660 CZ TYR A 110 0.508 -12.816 5.195 1.00 0.00 C ATOM 1661 OH TYR A 110 -0.551 -13.668 4.974 1.00 0.00 O ATOM 0 H TYR A 110 5.735 -8.789 6.646 1.00 0.00 H new ATOM 0 HA TYR A 110 3.172 -9.246 7.714 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.651 -9.236 5.323 1.00 0.00 H new ATOM 0 HB3 TYR A 110 4.722 -10.613 5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.140 -9.601 5.943 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.869 -12.808 5.278 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.742 -11.125 5.557 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.983 -14.329 4.883 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.408 -14.158 4.138 1.00 0.00 H new ATOM 1671 N GLY A 111 5.327 -11.732 8.096 1.00 0.00 N ATOM 1672 CA GLY A 111 5.581 -12.947 8.857 1.00 0.00 C ATOM 1673 C GLY A 111 4.651 -14.093 8.503 1.00 0.00 C ATOM 1674 O GLY A 111 4.550 -14.485 7.338 1.00 0.00 O ATOM 0 H GLY A 111 6.095 -11.443 7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 111 6.611 -13.262 8.690 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.484 -12.727 9.920 1.00 0.00 H new ATOM 1678 N ALA A 112 3.990 -14.643 9.521 1.00 0.00 N ATOM 1679 CA ALA A 112 3.074 -15.769 9.341 1.00 0.00 C ATOM 1680 C ALA A 112 1.859 -15.392 8.497 1.00 0.00 C ATOM 1681 O ALA A 112 1.363 -14.268 8.566 1.00 0.00 O ATOM 1682 CB ALA A 112 2.626 -16.298 10.697 1.00 0.00 C ATOM 0 H ALA A 112 4.073 -14.324 10.486 1.00 0.00 H new ATOM 0 HA ALA A 112 3.614 -16.549 8.804 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.944 -17.136 10.553 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.496 -16.631 11.263 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.117 -15.506 11.246 1.00 0.00 H new ATOM 1688 N VAL A 113 1.380 -16.351 7.710 1.00 0.00 N ATOM 1689 CA VAL A 113 0.223 -16.136 6.851 1.00 0.00 C ATOM 1690 C VAL A 113 -1.078 -16.212 7.646 1.00 0.00 C ATOM 1691 O VAL A 113 -1.144 -16.868 8.689 1.00 0.00 O ATOM 1692 CB VAL A 113 0.177 -17.162 5.695 1.00 0.00 C ATOM 1693 CG1 VAL A 113 1.318 -16.920 4.718 1.00 0.00 C ATOM 1694 CG2 VAL A 113 0.227 -18.588 6.232 1.00 0.00 C ATOM 0 H VAL A 113 1.778 -17.288 7.650 1.00 0.00 H new ATOM 0 HA VAL A 113 0.325 -15.136 6.430 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.766 -17.031 5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.268 -17.652 3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.234 -15.916 4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.270 -17.018 5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.193 -19.291 5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.150 -18.733 6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.627 -18.760 6.887 1.00 0.00 H new ATOM 1704 N LEU A 114 -2.111 -15.543 7.154 1.00 0.00 N ATOM 1705 CA LEU A 114 -3.405 -15.540 7.826 1.00 0.00 C ATOM 1706 C LEU A 114 -4.431 -16.346 7.040 1.00 0.00 C ATOM 1707 O LEU A 114 -4.553 -16.198 5.823 1.00 0.00 O ATOM 1708 CB LEU A 114 -3.906 -14.104 8.017 1.00 0.00 C ATOM 1709 CG LEU A 114 -2.988 -13.191 8.834 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -3.556 -11.781 8.895 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -2.789 -13.744 10.239 1.00 0.00 C ATOM 0 H LEU A 114 -2.080 -14.996 6.294 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.275 -16.005 8.803 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.055 -13.656 7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.881 -14.139 8.503 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.017 -13.153 8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -2.891 -11.146 9.480 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -3.645 -11.381 7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.540 -11.805 9.364 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.133 -13.080 10.802 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.753 -13.814 10.742 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.338 -14.734 10.180 1.00 0.00 H new ATOM 1723 N SER A 115 -5.163 -17.204 7.742 1.00 0.00 N ATOM 1724 CA SER A 115 -6.189 -18.032 7.117 1.00 0.00 C ATOM 1725 C SER A 115 -7.492 -17.252 6.962 1.00 0.00 C ATOM 1726 O SER A 115 -7.946 -16.611 7.913 1.00 0.00 O ATOM 1727 CB SER A 115 -6.430 -19.293 7.950 1.00 0.00 C ATOM 1728 OG SER A 115 -5.244 -20.063 8.061 1.00 0.00 O ATOM 0 H SER A 115 -5.065 -17.345 8.747 1.00 0.00 H new ATOM 0 HA SER A 115 -5.839 -18.321 6.126 1.00 0.00 H new ATOM 0 HB2 SER A 115 -6.782 -19.015 8.944 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.215 -19.893 7.490 1.00 0.00 H new ATOM 0 HG SER A 115 -5.422 -20.863 8.599 1.00 0.00 H new ATOM 1734 N PRO A 116 -8.101 -17.276 5.759 1.00 0.00 N ATOM 1735 CA PRO A 116 -9.366 -16.569 5.492 1.00 0.00 C ATOM 1736 C PRO A 116 -10.491 -17.006 6.430 1.00 0.00 C ATOM 1737 O PRO A 116 -10.639 -18.192 6.730 1.00 0.00 O ATOM 1738 CB PRO A 116 -9.695 -16.967 4.050 1.00 0.00 C ATOM 1739 CG PRO A 116 -8.378 -17.313 3.450 1.00 0.00 C ATOM 1740 CD PRO A 116 -7.602 -17.970 4.556 1.00 0.00 C ATOM 0 HA PRO A 116 -9.269 -15.494 5.646 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -10.380 -17.814 4.018 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.174 -16.149 3.512 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -8.497 -17.984 2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.866 -16.423 3.084 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.790 -19.043 4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -6.527 -17.839 4.430 1.00 0.00 H new ATOM 1748 N SER A 117 -11.280 -16.037 6.886 1.00 0.00 N ATOM 1749 CA SER A 117 -12.393 -16.303 7.791 1.00 0.00 C ATOM 1750 C SER A 117 -13.532 -17.044 7.090 1.00 0.00 C ATOM 1751 O SER A 117 -14.259 -17.816 7.715 1.00 0.00 O ATOM 1752 CB SER A 117 -12.906 -14.990 8.392 1.00 0.00 C ATOM 1753 OG SER A 117 -13.368 -14.107 7.380 1.00 0.00 O ATOM 0 H SER A 117 -11.167 -15.053 6.641 1.00 0.00 H new ATOM 0 HA SER A 117 -12.025 -16.948 8.589 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.715 -15.199 9.092 1.00 0.00 H new ATOM 0 HB3 SER A 117 -12.108 -14.511 8.960 1.00 0.00 H new ATOM 0 HG SER A 117 -13.016 -14.392 6.511 1.00 0.00 H new ATOM 1759 N GLU A 118 -13.685 -16.801 5.791 1.00 0.00 N ATOM 1760 CA GLU A 118 -14.738 -17.444 5.012 1.00 0.00 C ATOM 1761 C GLU A 118 -14.162 -18.108 3.768 1.00 0.00 C ATOM 1762 O GLU A 118 -13.162 -17.650 3.218 1.00 0.00 O ATOM 1763 CB GLU A 118 -15.807 -16.421 4.607 1.00 0.00 C ATOM 1764 CG GLU A 118 -16.487 -15.736 5.785 1.00 0.00 C ATOM 1765 CD GLU A 118 -17.363 -16.676 6.593 1.00 0.00 C ATOM 1766 OE1 GLU A 118 -17.723 -17.755 6.069 1.00 0.00 O ATOM 1767 OE2 GLU A 118 -17.692 -16.333 7.747 1.00 0.00 O ATOM 0 H GLU A 118 -13.094 -16.164 5.257 1.00 0.00 H new ATOM 0 HA GLU A 118 -15.198 -18.210 5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -15.347 -15.662 3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -16.565 -16.922 4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -15.726 -15.307 6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -17.094 -14.909 5.416 1.00 0.00 H new ATOM 1774 N LYS A 119 -14.796 -19.197 3.341 1.00 0.00 N ATOM 1775 CA LYS A 119 -14.357 -19.933 2.157 1.00 0.00 C ATOM 1776 C LYS A 119 -14.478 -19.079 0.893 1.00 0.00 C ATOM 1777 O LYS A 119 -13.616 -19.124 0.018 1.00 0.00 O ATOM 1778 CB LYS A 119 -15.179 -21.215 1.992 1.00 0.00 C ATOM 1779 CG LYS A 119 -14.889 -22.268 3.053 1.00 0.00 C ATOM 1780 CD LYS A 119 -15.730 -23.518 2.841 1.00 0.00 C ATOM 1781 CE LYS A 119 -15.398 -24.593 3.864 1.00 0.00 C ATOM 1782 NZ LYS A 119 -15.702 -24.154 5.253 1.00 0.00 N ATOM 0 H LYS A 119 -15.618 -19.591 3.799 1.00 0.00 H new ATOM 0 HA LYS A 119 -13.307 -20.190 2.299 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -16.239 -20.963 2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.981 -21.639 1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -13.831 -22.531 3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.091 -21.855 4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -16.787 -23.262 2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -15.561 -23.906 1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -15.964 -25.496 3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -14.342 -24.851 3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -15.623 -24.966 5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -15.027 -23.417 5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.669 -23.772 5.293 1.00 0.00 H new ATOM 1796 N SER A 120 -15.558 -18.310 0.802 1.00 0.00 N ATOM 1797 CA SER A 120 -15.789 -17.453 -0.354 1.00 0.00 C ATOM 1798 C SER A 120 -16.200 -16.047 0.075 1.00 0.00 C ATOM 1799 O SER A 120 -16.830 -15.865 1.117 1.00 0.00 O ATOM 1800 CB SER A 120 -16.865 -18.060 -1.256 1.00 0.00 C ATOM 1801 OG SER A 120 -16.471 -19.335 -1.735 1.00 0.00 O ATOM 0 H SER A 120 -16.286 -18.263 1.515 1.00 0.00 H new ATOM 0 HA SER A 120 -14.854 -17.380 -0.910 1.00 0.00 H new ATOM 0 HB2 SER A 120 -17.800 -18.149 -0.703 1.00 0.00 H new ATOM 0 HB3 SER A 120 -17.055 -17.395 -2.098 1.00 0.00 H new ATOM 0 HG SER A 120 -17.177 -19.702 -2.308 1.00 0.00 H new ATOM 1807 N TYR A 121 -15.841 -15.059 -0.739 1.00 0.00 N ATOM 1808 CA TYR A 121 -16.178 -13.666 -0.462 1.00 0.00 C ATOM 1809 C TYR A 121 -16.870 -13.037 -1.665 1.00 0.00 C ATOM 1810 O TYR A 121 -16.646 -13.445 -2.805 1.00 0.00 O ATOM 1811 CB TYR A 121 -14.928 -12.851 -0.108 1.00 0.00 C ATOM 1812 CG TYR A 121 -14.245 -13.280 1.172 1.00 0.00 C ATOM 1813 CD1 TYR A 121 -13.125 -14.101 1.149 1.00 0.00 C ATOM 1814 CD2 TYR A 121 -14.720 -12.854 2.407 1.00 0.00 C ATOM 1815 CE1 TYR A 121 -12.497 -14.483 2.320 1.00 0.00 C ATOM 1816 CE2 TYR A 121 -14.099 -13.232 3.581 1.00 0.00 C ATOM 1817 CZ TYR A 121 -12.987 -14.046 3.532 1.00 0.00 C ATOM 1818 OH TYR A 121 -12.364 -14.422 4.698 1.00 0.00 O ATOM 0 H TYR A 121 -15.314 -15.198 -1.601 1.00 0.00 H new ATOM 0 HA TYR A 121 -16.854 -13.654 0.393 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -14.215 -12.927 -0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -15.206 -11.800 -0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -12.739 -14.446 0.202 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -15.590 -12.216 2.449 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -11.626 -15.121 2.285 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -14.482 -12.892 4.532 1.00 0.00 H new ATOM 0 HH TYR A 121 -11.408 -14.558 4.529 1.00 0.00 H new ATOM 1828 N GLN A 122 -17.711 -12.040 -1.407 1.00 0.00 N ATOM 1829 CA GLN A 122 -18.435 -11.355 -2.471 1.00 0.00 C ATOM 1830 C GLN A 122 -18.531 -9.862 -2.172 1.00 0.00 C ATOM 1831 O GLN A 122 -18.414 -9.441 -1.021 1.00 0.00 O ATOM 1832 CB GLN A 122 -19.837 -11.957 -2.640 1.00 0.00 C ATOM 1833 CG GLN A 122 -20.712 -11.846 -1.399 1.00 0.00 C ATOM 1834 CD GLN A 122 -22.073 -12.488 -1.585 1.00 0.00 C ATOM 1835 OE1 GLN A 122 -22.292 -13.246 -2.529 1.00 0.00 O ATOM 1836 NE2 GLN A 122 -22.999 -12.188 -0.684 1.00 0.00 N ATOM 0 H GLN A 122 -17.908 -11.689 -0.470 1.00 0.00 H new ATOM 0 HA GLN A 122 -17.887 -11.488 -3.404 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -20.337 -11.459 -3.471 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -19.740 -13.008 -2.911 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -20.204 -12.317 -0.558 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -20.842 -10.794 -1.144 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -22.777 -11.555 0.084 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -23.933 -12.591 -0.759 1.00 0.00 H new ATOM 1845 N GLU A 123 -18.742 -9.066 -3.215 1.00 0.00 N ATOM 1846 CA GLU A 123 -18.846 -7.619 -3.064 1.00 0.00 C ATOM 1847 C GLU A 123 -20.158 -7.111 -3.655 1.00 0.00 C ATOM 1848 O GLU A 123 -20.647 -7.648 -4.649 1.00 0.00 O ATOM 1849 CB GLU A 123 -17.663 -6.926 -3.748 1.00 0.00 C ATOM 1850 CG GLU A 123 -16.328 -7.165 -3.055 1.00 0.00 C ATOM 1851 CD GLU A 123 -15.150 -6.634 -3.849 1.00 0.00 C ATOM 1852 OE1 GLU A 123 -15.338 -6.291 -5.035 1.00 0.00 O ATOM 1853 OE2 GLU A 123 -14.039 -6.563 -3.285 1.00 0.00 O ATOM 0 H GLU A 123 -18.844 -9.398 -4.174 1.00 0.00 H new ATOM 0 HA GLU A 123 -18.827 -7.384 -2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -17.595 -7.276 -4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -17.855 -5.854 -3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -16.343 -6.690 -2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -16.196 -8.234 -2.889 1.00 0.00 H new ATOM 1860 N GLY A 124 -20.724 -6.081 -3.038 1.00 0.00 N ATOM 1861 CA GLY A 124 -21.974 -5.523 -3.520 1.00 0.00 C ATOM 1862 C GLY A 124 -22.413 -4.322 -2.710 1.00 0.00 C ATOM 1863 O GLY A 124 -23.476 -3.748 -3.024 1.00 0.00 O ATOM 1864 OXT GLY A 124 -21.690 -3.956 -1.758 1.00 0.00 O ATOM 0 H GLY A 124 -20.340 -5.622 -2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -21.862 -5.233 -4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -22.750 -6.288 -3.483 1.00 0.00 H new TER 1868 GLY A 124