USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 875 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 9 ASN : amide:sc= -0.172 X(o=-3.8,f=-4) USER MOD Set 1.2: A 47 HIS : no HE2:sc= -3.67! C(o=-3.8!,f=-7.6!) USER MOD Single : A 8 CYS SG : rot 180:sc= -1.04 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.0793 F(o=-1.6,f=-0.079) USER MOD Single : A 15 SER OG : rot 43:sc= 0.0251 USER MOD Single : A 18 MET CE :methyl -167:sc= -2.57 (180deg=-3.35) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 28 SER OG : rot -31:sc= 0.718 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 93:sc= 0.189 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.545 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.613 F(o=-1.2,f=-0.61) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.358 K(o=-0.36,f=-4.1) USER MOD Single : A 69 HIS : no HD1:sc= -0.084 X(o=-0.084,f=-0.084) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.255 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot -65:sc= 0.803 USER MOD Single : A 76 THR OG1 : rot -55:sc= -0.107 USER MOD Single : A 78 CYS SG : rot 59:sc= -1.11 USER MOD Single : A 83 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.56) USER MOD Single : A 86 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0125) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -1.8 K(o=-1.8,f=-5.6!) USER MOD Single : A 114 CYS SG : rot -79:sc= -5.32! USER MOD Single : A 115 HIS : no HD1:sc= -2.23 K(o=-2.2,f=-4.9!) USER MOD Single : A 124 GLN : amide:sc= -2.17 K(o=-2.2,f=-4!) USER MOD Single : A 131 ASN : amide:sc= -0.064 K(o=-0.064,f=-1.4!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -170:sc= 0 (180deg=-0.137) USER MOD ----------------------------------------------------------------- ATOM 54 N GLY A 5 -4.753 -5.012 -16.906 1.00 0.00 N ATOM 55 CA GLY A 5 -6.114 -5.403 -16.477 1.00 0.00 C ATOM 56 C GLY A 5 -6.759 -4.381 -15.533 1.00 0.00 C ATOM 57 O GLY A 5 -7.763 -3.751 -15.857 1.00 0.00 O ATOM 0 HA2 GLY A 5 -6.745 -5.526 -17.357 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.068 -6.372 -15.979 1.00 0.00 H new ATOM 61 N ALA A 6 -6.131 -4.240 -14.372 1.00 0.00 N ATOM 62 CA ALA A 6 -6.551 -3.288 -13.326 1.00 0.00 C ATOM 63 C ALA A 6 -5.552 -2.130 -13.284 1.00 0.00 C ATOM 64 O ALA A 6 -4.407 -2.320 -13.677 1.00 0.00 O ATOM 65 CB ALA A 6 -6.559 -3.997 -11.973 1.00 0.00 C ATOM 0 H ALA A 6 -5.307 -4.784 -14.118 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.550 -2.910 -13.545 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.869 -3.297 -11.197 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.256 -4.835 -12.005 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.558 -4.366 -11.750 1.00 0.00 H new ATOM 71 N ALA A 7 -6.000 -0.962 -12.832 1.00 0.00 N ATOM 72 CA ALA A 7 -5.197 0.276 -12.798 1.00 0.00 C ATOM 73 C ALA A 7 -5.990 1.382 -12.075 1.00 0.00 C ATOM 74 O ALA A 7 -6.980 1.897 -12.593 1.00 0.00 O ATOM 75 CB ALA A 7 -4.847 0.687 -14.240 1.00 0.00 C ATOM 0 H ALA A 7 -6.946 -0.838 -12.471 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.269 0.113 -12.250 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.254 1.601 -14.224 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.275 -0.109 -14.716 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.765 0.860 -14.802 1.00 0.00 H new ATOM 81 N CYS A 8 -5.747 1.459 -10.771 1.00 0.00 N ATOM 82 CA CYS A 8 -6.361 2.472 -9.889 1.00 0.00 C ATOM 83 C CYS A 8 -5.350 3.527 -9.423 1.00 0.00 C ATOM 84 O CYS A 8 -4.168 3.442 -9.731 1.00 0.00 O ATOM 85 CB CYS A 8 -7.013 1.782 -8.686 1.00 0.00 C ATOM 86 SG CYS A 8 -8.800 1.501 -8.943 1.00 0.00 S ATOM 0 H CYS A 8 -5.117 0.822 -10.284 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.122 2.998 -10.465 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.519 0.828 -8.504 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.867 2.392 -7.795 1.00 0.00 H new ATOM 0 HG CYS A 8 -9.302 0.913 -7.898 1.00 0.00 H new ATOM 92 N ASN A 9 -5.779 4.422 -8.543 1.00 0.00 N ATOM 93 CA ASN A 9 -4.908 5.496 -8.034 1.00 0.00 C ATOM 94 C ASN A 9 -4.858 5.411 -6.509 1.00 0.00 C ATOM 95 O ASN A 9 -5.799 4.959 -5.857 1.00 0.00 O ATOM 96 CB ASN A 9 -5.426 6.868 -8.474 1.00 0.00 C ATOM 97 CG ASN A 9 -5.353 7.098 -9.981 1.00 0.00 C ATOM 98 OD1 ASN A 9 -6.085 6.533 -10.781 1.00 0.00 O ATOM 99 ND2 ASN A 9 -4.433 7.940 -10.389 1.00 0.00 N ATOM 0 H ASN A 9 -6.725 4.433 -8.161 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.905 5.371 -8.442 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.461 6.977 -8.149 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.850 7.643 -7.969 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.321 8.130 -11.385 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.829 8.404 -9.710 1.00 0.00 H new ATOM 106 N VAL A 10 -3.653 5.573 -5.995 1.00 0.00 N ATOM 107 CA VAL A 10 -3.399 5.563 -4.544 1.00 0.00 C ATOM 108 C VAL A 10 -2.333 6.629 -4.242 1.00 0.00 C ATOM 109 O VAL A 10 -1.762 7.241 -5.143 1.00 0.00 O ATOM 110 CB VAL A 10 -3.044 4.159 -3.976 1.00 0.00 C ATOM 111 CG1 VAL A 10 -3.969 3.024 -4.431 1.00 0.00 C ATOM 112 CG2 VAL A 10 -1.611 3.707 -4.224 1.00 0.00 C ATOM 0 H VAL A 10 -2.816 5.716 -6.560 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.323 5.813 -4.022 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.186 4.333 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.641 2.086 -3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.990 3.239 -4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.934 2.939 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.461 2.718 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.423 3.666 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.922 4.413 -3.762 1.00 0.00 H new ATOM 122 N LEU A 11 -2.087 6.840 -2.963 1.00 0.00 N ATOM 123 CA LEU A 11 -1.024 7.748 -2.536 1.00 0.00 C ATOM 124 C LEU A 11 0.076 6.929 -1.854 1.00 0.00 C ATOM 125 O LEU A 11 -0.144 6.301 -0.817 1.00 0.00 O ATOM 126 CB LEU A 11 -1.685 8.786 -1.630 1.00 0.00 C ATOM 127 CG LEU A 11 -0.829 9.995 -1.281 1.00 0.00 C ATOM 128 CD1 LEU A 11 -1.711 11.015 -0.577 1.00 0.00 C ATOM 129 CD2 LEU A 11 0.242 9.596 -0.286 1.00 0.00 C ATOM 0 H LEU A 11 -2.602 6.401 -2.200 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.537 8.273 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.597 9.136 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.984 8.296 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.383 10.392 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.117 11.891 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.525 11.311 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.124 10.574 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.852 10.465 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.228 9.214 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.873 8.822 -0.722 1.00 0.00 H new ATOM 141 N PHE A 12 1.241 7.000 -2.483 1.00 0.00 N ATOM 142 CA PHE A 12 2.489 6.383 -2.008 1.00 0.00 C ATOM 143 C PHE A 12 2.968 7.142 -0.773 1.00 0.00 C ATOM 144 O PHE A 12 3.146 8.362 -0.805 1.00 0.00 O ATOM 145 CB PHE A 12 3.549 6.497 -3.108 1.00 0.00 C ATOM 146 CG PHE A 12 4.953 6.042 -2.711 1.00 0.00 C ATOM 147 CD1 PHE A 12 5.797 6.886 -1.990 1.00 0.00 C ATOM 148 CD2 PHE A 12 5.384 4.769 -3.061 1.00 0.00 C ATOM 149 CE1 PHE A 12 7.055 6.458 -1.609 1.00 0.00 C ATOM 150 CE2 PHE A 12 6.650 4.345 -2.690 1.00 0.00 C ATOM 151 CZ PHE A 12 7.488 5.181 -1.960 1.00 0.00 C ATOM 0 H PHE A 12 1.356 7.501 -3.364 1.00 0.00 H new ATOM 0 HA PHE A 12 2.323 5.334 -1.762 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.223 5.909 -3.966 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.600 7.536 -3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.466 7.880 -1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.735 4.112 -3.620 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.700 7.112 -1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.988 3.358 -2.970 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.470 4.842 -1.666 1.00 0.00 H new ATOM 161 N ILE A 13 3.303 6.342 0.221 1.00 0.00 N ATOM 162 CA ILE A 13 3.864 6.892 1.458 1.00 0.00 C ATOM 163 C ILE A 13 5.367 6.563 1.524 1.00 0.00 C ATOM 164 O ILE A 13 6.193 7.437 1.273 1.00 0.00 O ATOM 165 CB ILE A 13 3.090 6.376 2.679 1.00 0.00 C ATOM 166 CG1 ILE A 13 1.563 6.549 2.632 1.00 0.00 C ATOM 167 CG2 ILE A 13 3.683 7.031 3.915 1.00 0.00 C ATOM 168 CD1 ILE A 13 1.038 7.961 2.457 1.00 0.00 C ATOM 0 H ILE A 13 3.203 5.327 0.207 1.00 0.00 H new ATOM 0 HA ILE A 13 3.760 7.977 1.465 1.00 0.00 H new ATOM 0 HB ILE A 13 3.211 5.293 2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.178 5.940 1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.147 6.144 3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.152 6.683 4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.737 6.767 3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.585 8.114 3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.052 7.944 2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.379 8.581 3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.409 8.374 1.519 1.00 0.00 H new ATOM 180 N ASN A 14 5.664 5.366 2.033 1.00 0.00 N ATOM 181 CA ASN A 14 7.026 4.838 2.227 1.00 0.00 C ATOM 182 C ASN A 14 6.980 3.406 2.759 1.00 0.00 C ATOM 183 O ASN A 14 5.998 2.971 3.368 1.00 0.00 O ATOM 184 CB ASN A 14 7.824 5.681 3.225 1.00 0.00 C ATOM 185 CG ASN A 14 9.130 6.126 2.571 1.00 0.00 C ATOM 186 OD1 ASN A 14 9.087 7.239 1.880 1.00 0.00 O flip ATOM 187 ND2 ASN A 14 10.133 5.426 2.568 1.00 0.00 N flip ATOM 0 H ASN A 14 4.942 4.711 2.333 1.00 0.00 H new ATOM 0 HA ASN A 14 7.512 4.869 1.252 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.242 6.550 3.533 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.032 5.102 4.125 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.154 4.562 3.110 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.949 5.706 2.024 1.00 0.00 H new ATOM 194 N SER A 15 8.043 2.693 2.413 1.00 0.00 N ATOM 195 CA SER A 15 8.256 1.296 2.816 1.00 0.00 C ATOM 196 C SER A 15 9.161 1.245 4.042 1.00 0.00 C ATOM 197 O SER A 15 10.320 1.655 4.042 1.00 0.00 O ATOM 198 CB SER A 15 8.845 0.472 1.671 1.00 0.00 C ATOM 199 OG SER A 15 9.946 1.133 1.045 1.00 0.00 O ATOM 0 H SER A 15 8.796 3.067 1.836 1.00 0.00 H new ATOM 0 HA SER A 15 7.291 0.858 3.070 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.172 -0.495 2.052 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.070 0.277 0.929 1.00 0.00 H new ATOM 0 HG SER A 15 10.519 1.534 1.731 1.00 0.00 H new ATOM 205 N VAL A 16 8.548 0.770 5.110 1.00 0.00 N ATOM 206 CA VAL A 16 9.211 0.664 6.420 1.00 0.00 C ATOM 207 C VAL A 16 9.437 -0.808 6.763 1.00 0.00 C ATOM 208 O VAL A 16 8.504 -1.613 6.839 1.00 0.00 O ATOM 209 CB VAL A 16 8.493 1.445 7.536 1.00 0.00 C ATOM 210 CG1 VAL A 16 8.751 2.947 7.410 1.00 0.00 C ATOM 211 CG2 VAL A 16 6.984 1.240 7.505 1.00 0.00 C ATOM 0 H VAL A 16 7.581 0.445 5.107 1.00 0.00 H new ATOM 0 HA VAL A 16 10.184 1.150 6.345 1.00 0.00 H new ATOM 0 HB VAL A 16 8.896 1.060 8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.232 3.474 8.211 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.821 3.140 7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.384 3.300 6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.523 1.811 8.311 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.590 1.581 6.547 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.758 0.182 7.634 1.00 0.00 H new ATOM 221 N GLU A 17 10.707 -1.173 6.621 1.00 0.00 N ATOM 222 CA GLU A 17 11.159 -2.551 6.882 1.00 0.00 C ATOM 223 C GLU A 17 10.842 -2.937 8.325 1.00 0.00 C ATOM 224 O GLU A 17 11.046 -2.168 9.261 1.00 0.00 O ATOM 225 CB GLU A 17 12.654 -2.730 6.621 1.00 0.00 C ATOM 226 CG GLU A 17 12.876 -3.622 5.397 1.00 0.00 C ATOM 227 CD GLU A 17 13.542 -2.861 4.246 1.00 0.00 C ATOM 228 OE1 GLU A 17 12.921 -1.895 3.753 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.653 -3.284 3.869 1.00 0.00 O ATOM 0 H GLU A 17 11.449 -0.538 6.326 1.00 0.00 H new ATOM 0 HA GLU A 17 10.623 -3.204 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.121 -1.758 6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.132 -3.174 7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.497 -4.473 5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.919 -4.022 5.062 1.00 0.00 H new ATOM 236 N MET A 18 10.288 -4.131 8.434 1.00 0.00 N ATOM 237 CA MET A 18 9.857 -4.647 9.739 1.00 0.00 C ATOM 238 C MET A 18 10.867 -5.585 10.392 1.00 0.00 C ATOM 239 O MET A 18 10.932 -5.657 11.616 1.00 0.00 O ATOM 240 CB MET A 18 8.510 -5.339 9.584 1.00 0.00 C ATOM 241 CG MET A 18 7.610 -4.858 10.719 1.00 0.00 C ATOM 242 SD MET A 18 7.372 -3.050 10.850 1.00 0.00 S ATOM 243 CE MET A 18 6.716 -2.704 9.240 1.00 0.00 C ATOM 0 H MET A 18 10.123 -4.762 7.650 1.00 0.00 H new ATOM 0 HA MET A 18 9.773 -3.792 10.409 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.067 -5.101 8.617 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.629 -6.422 9.623 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.632 -5.325 10.602 1.00 0.00 H new ATOM 0 HG3 MET A 18 8.024 -5.218 11.661 1.00 0.00 H new ATOM 0 HE1 MET A 18 6.730 -1.628 9.065 1.00 0.00 H new ATOM 0 HE2 MET A 18 7.324 -3.202 8.485 1.00 0.00 H new ATOM 0 HE3 MET A 18 5.691 -3.069 9.179 1.00 0.00 H new ATOM 253 N GLU A 19 11.547 -6.338 9.524 1.00 0.00 N ATOM 254 CA GLU A 19 12.614 -7.312 9.841 1.00 0.00 C ATOM 255 C GLU A 19 11.987 -8.624 10.349 1.00 0.00 C ATOM 256 O GLU A 19 12.320 -9.120 11.421 1.00 0.00 O ATOM 257 CB GLU A 19 13.575 -6.746 10.904 1.00 0.00 C ATOM 258 CG GLU A 19 15.037 -7.139 10.706 1.00 0.00 C ATOM 259 CD GLU A 19 15.738 -6.084 9.847 1.00 0.00 C ATOM 260 OE1 GLU A 19 15.683 -4.895 10.231 1.00 0.00 O ATOM 261 OE2 GLU A 19 16.250 -6.484 8.781 1.00 0.00 O ATOM 0 H GLU A 19 11.363 -6.287 8.522 1.00 0.00 H new ATOM 0 HA GLU A 19 13.183 -7.508 8.932 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.500 -5.659 10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.250 -7.086 11.887 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.535 -7.226 11.672 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.100 -8.115 10.225 1.00 0.00 H new ATOM 268 N SER A 20 11.078 -9.181 9.541 1.00 0.00 N ATOM 269 CA SER A 20 10.335 -10.417 9.883 1.00 0.00 C ATOM 270 C SER A 20 9.503 -10.225 11.158 1.00 0.00 C ATOM 271 O SER A 20 9.887 -10.590 12.267 1.00 0.00 O ATOM 272 CB SER A 20 11.324 -11.586 10.033 1.00 0.00 C ATOM 273 OG SER A 20 10.675 -12.799 10.413 1.00 0.00 O ATOM 0 H SER A 20 10.831 -8.794 8.630 1.00 0.00 H new ATOM 0 HA SER A 20 9.639 -10.647 9.076 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.850 -11.738 9.090 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.076 -11.329 10.779 1.00 0.00 H new ATOM 0 HG SER A 20 11.340 -13.514 10.495 1.00 0.00 H new ATOM 279 N LEU A 21 8.365 -9.562 10.978 1.00 0.00 N ATOM 280 CA LEU A 21 7.465 -9.325 12.117 1.00 0.00 C ATOM 281 C LEU A 21 6.376 -10.403 12.142 1.00 0.00 C ATOM 282 O LEU A 21 6.444 -11.341 12.928 1.00 0.00 O ATOM 283 CB LEU A 21 6.903 -7.899 12.093 1.00 0.00 C ATOM 284 CG LEU A 21 6.199 -7.477 13.389 1.00 0.00 C ATOM 285 CD1 LEU A 21 7.161 -7.387 14.576 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.561 -6.109 13.194 1.00 0.00 C ATOM 0 H LEU A 21 8.045 -9.187 10.085 1.00 0.00 H new ATOM 0 HA LEU A 21 8.025 -9.404 13.049 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.718 -7.203 11.892 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.199 -7.812 11.266 1.00 0.00 H new ATOM 0 HG LEU A 21 5.452 -8.240 13.610 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.612 -7.085 15.468 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.621 -8.360 14.746 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.936 -6.652 14.361 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.060 -5.807 14.114 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.332 -5.380 12.944 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.833 -6.159 12.384 1.00 0.00 H new ATOM 298 N THR A 22 5.386 -10.241 11.263 1.00 0.00 N ATOM 299 CA THR A 22 4.185 -11.108 11.179 1.00 0.00 C ATOM 300 C THR A 22 3.325 -10.753 9.952 1.00 0.00 C ATOM 301 O THR A 22 3.460 -11.361 8.893 1.00 0.00 O ATOM 302 CB THR A 22 3.384 -11.182 12.510 1.00 0.00 C ATOM 303 OG1 THR A 22 2.029 -11.580 12.305 1.00 0.00 O ATOM 304 CG2 THR A 22 3.369 -9.899 13.341 1.00 0.00 C ATOM 0 H THR A 22 5.386 -9.492 10.571 1.00 0.00 H new ATOM 0 HA THR A 22 4.536 -12.128 11.025 1.00 0.00 H new ATOM 0 HB THR A 22 3.934 -11.935 13.075 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.564 -11.615 13.167 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.784 -10.059 14.247 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.390 -9.629 13.611 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.923 -9.093 12.758 1.00 0.00 H new ATOM 312 N GLY A 23 2.554 -9.670 10.099 1.00 0.00 N ATOM 313 CA GLY A 23 1.631 -9.181 9.054 1.00 0.00 C ATOM 314 C GLY A 23 0.683 -8.109 9.619 1.00 0.00 C ATOM 315 O GLY A 23 0.980 -6.922 9.458 1.00 0.00 O ATOM 0 H GLY A 23 2.548 -9.102 10.946 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.202 -8.766 8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.050 -10.014 8.657 1.00 0.00 H new ATOM 319 N PRO A 24 -0.302 -8.498 10.451 1.00 0.00 N ATOM 320 CA PRO A 24 -1.225 -7.546 11.107 1.00 0.00 C ATOM 321 C PRO A 24 -0.584 -6.631 12.171 1.00 0.00 C ATOM 322 O PRO A 24 -1.210 -5.684 12.633 1.00 0.00 O ATOM 323 CB PRO A 24 -2.340 -8.419 11.682 1.00 0.00 C ATOM 324 CG PRO A 24 -1.630 -9.731 12.009 1.00 0.00 C ATOM 325 CD PRO A 24 -0.621 -9.882 10.868 1.00 0.00 C ATOM 0 HA PRO A 24 -1.587 -6.820 10.380 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.784 -7.970 12.571 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.146 -8.567 10.963 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.136 -9.689 12.980 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.327 -10.568 12.042 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.273 -10.410 11.199 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.042 -10.456 10.042 1.00 0.00 H new ATOM 333 N GLN A 25 0.694 -6.861 12.466 1.00 0.00 N ATOM 334 CA GLN A 25 1.481 -5.999 13.370 1.00 0.00 C ATOM 335 C GLN A 25 2.449 -5.104 12.576 1.00 0.00 C ATOM 336 O GLN A 25 2.889 -4.070 13.062 1.00 0.00 O ATOM 337 CB GLN A 25 2.279 -6.888 14.317 1.00 0.00 C ATOM 338 CG GLN A 25 2.614 -6.249 15.663 1.00 0.00 C ATOM 339 CD GLN A 25 1.522 -6.573 16.681 1.00 0.00 C ATOM 340 OE1 GLN A 25 0.326 -6.462 16.442 1.00 0.00 O ATOM 341 NE2 GLN A 25 1.938 -7.015 17.845 1.00 0.00 N ATOM 0 H GLN A 25 1.221 -7.649 12.089 1.00 0.00 H new ATOM 0 HA GLN A 25 0.800 -5.355 13.927 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.715 -7.804 14.495 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.208 -7.176 13.826 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.576 -6.616 16.020 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.708 -5.169 15.549 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.937 -7.102 18.030 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.262 -7.271 18.564 1.00 0.00 H new ATOM 350 N ALA A 26 2.789 -5.521 11.355 1.00 0.00 N ATOM 351 CA ALA A 26 3.638 -4.722 10.457 1.00 0.00 C ATOM 352 C ALA A 26 2.905 -3.451 10.021 1.00 0.00 C ATOM 353 O ALA A 26 3.469 -2.381 10.176 1.00 0.00 O ATOM 354 CB ALA A 26 4.085 -5.554 9.259 1.00 0.00 C ATOM 0 H ALA A 26 2.489 -6.412 10.960 1.00 0.00 H new ATOM 0 HA ALA A 26 4.535 -4.419 10.998 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.712 -4.946 8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.653 -6.417 9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.210 -5.895 8.706 1.00 0.00 H new ATOM 360 N ILE A 27 1.588 -3.548 9.814 1.00 0.00 N ATOM 361 CA ILE A 27 0.739 -2.370 9.538 1.00 0.00 C ATOM 362 C ILE A 27 0.774 -1.384 10.723 1.00 0.00 C ATOM 363 O ILE A 27 1.052 -0.223 10.484 1.00 0.00 O ATOM 364 CB ILE A 27 -0.707 -2.757 9.154 1.00 0.00 C ATOM 365 CG1 ILE A 27 -0.768 -3.795 8.018 1.00 0.00 C ATOM 366 CG2 ILE A 27 -1.544 -1.522 8.782 1.00 0.00 C ATOM 367 CD1 ILE A 27 -0.159 -3.363 6.679 1.00 0.00 C ATOM 0 H ILE A 27 1.079 -4.432 9.831 1.00 0.00 H new ATOM 0 HA ILE A 27 1.157 -1.867 8.666 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.135 -3.219 10.044 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.259 -4.699 8.351 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.812 -4.060 7.851 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.555 -1.833 8.518 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.585 -0.841 9.632 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.087 -1.015 7.932 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.259 -4.172 5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.681 -2.480 6.310 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.896 -3.129 6.818 1.00 0.00 H new ATOM 379 N SER A 28 0.781 -1.867 11.965 1.00 0.00 N ATOM 380 CA SER A 28 0.830 -0.969 13.142 1.00 0.00 C ATOM 381 C SER A 28 2.241 -0.418 13.387 1.00 0.00 C ATOM 382 O SER A 28 2.418 0.796 13.396 1.00 0.00 O ATOM 383 CB SER A 28 0.297 -1.628 14.419 1.00 0.00 C ATOM 384 OG SER A 28 1.143 -2.705 14.823 1.00 0.00 O ATOM 0 H SER A 28 0.754 -2.861 12.192 1.00 0.00 H new ATOM 0 HA SER A 28 0.169 -0.138 12.899 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.236 -0.888 15.217 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.714 -1.998 14.248 1.00 0.00 H new ATOM 0 HG SER A 28 1.547 -3.118 14.032 1.00 0.00 H new ATOM 390 N LYS A 29 3.240 -1.299 13.357 1.00 0.00 N ATOM 391 CA LYS A 29 4.665 -0.932 13.493 1.00 0.00 C ATOM 392 C LYS A 29 5.192 -0.077 12.319 1.00 0.00 C ATOM 393 O LYS A 29 6.253 0.531 12.402 1.00 0.00 O ATOM 394 CB LYS A 29 5.447 -2.227 13.725 1.00 0.00 C ATOM 395 CG LYS A 29 6.893 -1.989 14.160 1.00 0.00 C ATOM 396 CD LYS A 29 7.350 -3.087 15.118 1.00 0.00 C ATOM 397 CE LYS A 29 8.819 -3.415 14.868 1.00 0.00 C ATOM 398 NZ LYS A 29 9.531 -3.648 16.129 1.00 0.00 N ATOM 0 H LYS A 29 3.090 -2.301 13.237 1.00 0.00 H new ATOM 0 HA LYS A 29 4.802 -0.271 14.349 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.939 -2.819 14.486 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.443 -2.815 12.807 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.543 -1.967 13.286 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.978 -1.016 14.645 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.211 -2.763 16.149 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.740 -3.980 14.979 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.895 -4.300 14.236 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.291 -2.595 14.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.527 -3.869 15.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.477 -2.794 16.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.094 -4.446 16.632 1.00 0.00 H new ATOM 412 N ALA A 30 4.377 0.019 11.273 1.00 0.00 N ATOM 413 CA ALA A 30 4.585 0.884 10.104 1.00 0.00 C ATOM 414 C ALA A 30 3.750 2.166 10.163 1.00 0.00 C ATOM 415 O ALA A 30 4.315 3.246 10.198 1.00 0.00 O ATOM 416 CB ALA A 30 4.157 0.105 8.874 1.00 0.00 C ATOM 0 H ALA A 30 3.516 -0.524 11.209 1.00 0.00 H new ATOM 0 HA ALA A 30 5.636 1.171 10.078 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.299 0.721 7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.759 -0.800 8.789 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.105 -0.166 8.963 1.00 0.00 H new ATOM 422 N VAL A 31 2.449 2.044 10.418 1.00 0.00 N ATOM 423 CA VAL A 31 1.519 3.183 10.589 1.00 0.00 C ATOM 424 C VAL A 31 2.010 4.108 11.717 1.00 0.00 C ATOM 425 O VAL A 31 2.090 5.321 11.533 1.00 0.00 O ATOM 426 CB VAL A 31 0.098 2.639 10.853 1.00 0.00 C ATOM 427 CG1 VAL A 31 -0.860 3.660 11.479 1.00 0.00 C ATOM 428 CG2 VAL A 31 -0.514 2.142 9.543 1.00 0.00 C ATOM 0 H VAL A 31 1.992 1.137 10.515 1.00 0.00 H new ATOM 0 HA VAL A 31 1.488 3.784 9.680 1.00 0.00 H new ATOM 0 HB VAL A 31 0.220 1.832 11.575 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.835 3.198 11.632 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.462 3.992 12.438 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.965 4.517 10.813 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.517 1.759 9.732 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.569 2.966 8.831 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.107 1.347 9.130 1.00 0.00 H new ATOM 438 N ALA A 32 2.475 3.482 12.794 1.00 0.00 N ATOM 439 CA ALA A 32 3.030 4.177 13.969 1.00 0.00 C ATOM 440 C ALA A 32 4.446 4.726 13.723 1.00 0.00 C ATOM 441 O ALA A 32 4.857 5.687 14.364 1.00 0.00 O ATOM 442 CB ALA A 32 3.007 3.253 15.190 1.00 0.00 C ATOM 0 H ALA A 32 2.481 2.466 12.884 1.00 0.00 H new ATOM 0 HA ALA A 32 2.394 5.041 14.161 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.420 3.778 16.051 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.980 2.957 15.403 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.605 2.365 14.986 1.00 0.00 H new ATOM 448 N GLU A 33 5.123 4.183 12.712 1.00 0.00 N ATOM 449 CA GLU A 33 6.459 4.642 12.275 1.00 0.00 C ATOM 450 C GLU A 33 6.434 5.331 10.898 1.00 0.00 C ATOM 451 O GLU A 33 7.396 5.326 10.129 1.00 0.00 O ATOM 452 CB GLU A 33 7.403 3.439 12.244 1.00 0.00 C ATOM 453 CG GLU A 33 7.686 2.935 13.659 1.00 0.00 C ATOM 454 CD GLU A 33 9.184 2.864 13.950 1.00 0.00 C ATOM 455 OE1 GLU A 33 9.938 2.377 13.078 1.00 0.00 O ATOM 456 OE2 GLU A 33 9.548 3.341 15.047 1.00 0.00 O ATOM 0 H GLU A 33 4.763 3.403 12.162 1.00 0.00 H new ATOM 0 HA GLU A 33 6.807 5.390 12.988 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.961 2.639 11.650 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.338 3.717 11.758 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.207 3.595 14.382 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.244 1.947 13.788 1.00 0.00 H new ATOM 463 N THR A 34 5.264 5.863 10.571 1.00 0.00 N ATOM 464 CA THR A 34 5.038 6.532 9.280 1.00 0.00 C ATOM 465 C THR A 34 4.136 7.767 9.405 1.00 0.00 C ATOM 466 O THR A 34 4.508 8.844 8.954 1.00 0.00 O ATOM 467 CB THR A 34 4.539 5.485 8.279 1.00 0.00 C ATOM 468 OG1 THR A 34 5.613 4.602 7.953 1.00 0.00 O ATOM 469 CG2 THR A 34 4.012 6.098 7.000 1.00 0.00 C ATOM 0 H THR A 34 4.447 5.848 11.181 1.00 0.00 H new ATOM 0 HA THR A 34 5.975 6.943 8.903 1.00 0.00 H new ATOM 0 HB THR A 34 3.714 4.953 8.754 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.589 3.824 8.548 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.673 5.308 6.330 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.178 6.760 7.231 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.805 6.668 6.516 1.00 0.00 H new ATOM 477 N LEU A 35 3.035 7.630 10.137 1.00 0.00 N ATOM 478 CA LEU A 35 2.152 8.777 10.429 1.00 0.00 C ATOM 479 C LEU A 35 2.831 9.844 11.294 1.00 0.00 C ATOM 480 O LEU A 35 2.454 11.013 11.276 1.00 0.00 O ATOM 481 CB LEU A 35 0.864 8.279 11.083 1.00 0.00 C ATOM 482 CG LEU A 35 -0.241 8.018 10.057 1.00 0.00 C ATOM 483 CD1 LEU A 35 0.160 7.005 8.981 1.00 0.00 C ATOM 484 CD2 LEU A 35 -1.474 7.537 10.809 1.00 0.00 C ATOM 0 H LEU A 35 2.726 6.746 10.541 1.00 0.00 H new ATOM 0 HA LEU A 35 1.916 9.261 9.482 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.070 7.362 11.634 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.518 9.016 11.808 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.441 8.948 9.525 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.668 6.866 8.286 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.030 7.375 8.439 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.403 6.052 9.451 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.279 7.343 10.101 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.236 6.620 11.349 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.790 8.303 11.517 1.00 0.00 H new ATOM 496 N VAL A 36 3.814 9.373 12.053 1.00 0.00 N ATOM 497 CA VAL A 36 4.663 10.207 12.923 1.00 0.00 C ATOM 498 C VAL A 36 6.126 10.221 12.422 1.00 0.00 C ATOM 499 O VAL A 36 6.923 10.991 12.955 1.00 0.00 O ATOM 500 CB VAL A 36 4.569 9.730 14.393 1.00 0.00 C ATOM 501 CG1 VAL A 36 5.152 10.762 15.363 1.00 0.00 C ATOM 502 CG2 VAL A 36 3.133 9.427 14.846 1.00 0.00 C ATOM 0 H VAL A 36 4.055 8.382 12.088 1.00 0.00 H new ATOM 0 HA VAL A 36 4.296 11.233 12.881 1.00 0.00 H new ATOM 0 HB VAL A 36 5.149 8.808 14.418 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.067 10.390 16.384 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.202 10.933 15.125 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.602 11.699 15.271 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.141 9.098 15.885 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.525 10.327 14.755 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.712 8.640 14.220 1.00 0.00 H new ATOM 512 N ALA A 37 6.467 9.410 11.405 1.00 0.00 N ATOM 513 CA ALA A 37 7.815 9.352 10.796 1.00 0.00 C ATOM 514 C ALA A 37 8.362 10.770 10.590 1.00 0.00 C ATOM 515 O ALA A 37 7.673 11.621 10.041 1.00 0.00 O ATOM 516 CB ALA A 37 7.784 8.647 9.436 1.00 0.00 C ATOM 0 H ALA A 37 5.806 8.765 10.974 1.00 0.00 H new ATOM 0 HA ALA A 37 8.455 8.791 11.477 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.790 8.622 9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.418 7.628 9.563 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.122 9.189 8.760 1.00 0.00 H new ATOM 522 N ASP A 38 9.331 11.075 11.443 1.00 0.00 N ATOM 523 CA ASP A 38 9.933 12.414 11.503 1.00 0.00 C ATOM 524 C ASP A 38 11.412 12.330 11.093 1.00 0.00 C ATOM 525 O ASP A 38 12.190 11.689 11.800 1.00 0.00 O ATOM 526 CB ASP A 38 9.728 13.051 12.885 1.00 0.00 C ATOM 527 CG ASP A 38 10.401 14.424 12.995 1.00 0.00 C ATOM 528 OD1 ASP A 38 9.901 15.365 12.338 1.00 0.00 O ATOM 529 OD2 ASP A 38 11.486 14.470 13.611 1.00 0.00 O ATOM 0 H ASP A 38 9.724 10.412 12.111 1.00 0.00 H new ATOM 0 HA ASP A 38 9.432 13.073 10.794 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.661 13.155 13.081 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.130 12.389 13.652 1.00 0.00 H new ATOM 534 N PRO A 39 11.730 12.954 9.953 1.00 0.00 N ATOM 535 CA PRO A 39 10.789 13.672 9.065 1.00 0.00 C ATOM 536 C PRO A 39 9.893 12.725 8.249 1.00 0.00 C ATOM 537 O PRO A 39 10.214 11.547 8.089 1.00 0.00 O ATOM 538 CB PRO A 39 11.684 14.547 8.190 1.00 0.00 C ATOM 539 CG PRO A 39 12.981 13.743 8.088 1.00 0.00 C ATOM 540 CD PRO A 39 13.115 13.072 9.456 1.00 0.00 C ATOM 0 HA PRO A 39 10.071 14.265 9.631 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.241 14.720 7.209 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.853 15.525 8.640 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.931 13.006 7.286 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.834 14.388 7.875 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.590 12.095 9.373 1.00 0.00 H new ATOM 0 HD3 PRO A 39 13.729 13.668 10.131 1.00 0.00 H new ATOM 548 N THR A 40 8.707 13.222 7.909 1.00 0.00 N ATOM 549 CA THR A 40 7.715 12.418 7.165 1.00 0.00 C ATOM 550 C THR A 40 7.997 12.438 5.653 1.00 0.00 C ATOM 551 O THR A 40 8.445 13.466 5.134 1.00 0.00 O ATOM 552 CB THR A 40 6.257 12.780 7.534 1.00 0.00 C ATOM 553 OG1 THR A 40 5.482 11.584 7.446 1.00 0.00 O ATOM 554 CG2 THR A 40 5.591 13.876 6.687 1.00 0.00 C ATOM 0 H THR A 40 8.401 14.170 8.130 1.00 0.00 H new ATOM 0 HA THR A 40 7.830 11.381 7.481 1.00 0.00 H new ATOM 0 HB THR A 40 6.297 13.203 8.538 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.550 11.780 7.677 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.573 14.041 7.040 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.160 14.801 6.776 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.566 13.564 5.643 1.00 0.00 H new ATOM 562 N PRO A 41 7.808 11.303 4.976 1.00 0.00 N ATOM 563 CA PRO A 41 7.943 11.248 3.514 1.00 0.00 C ATOM 564 C PRO A 41 6.800 11.987 2.816 1.00 0.00 C ATOM 565 O PRO A 41 5.689 12.127 3.327 1.00 0.00 O ATOM 566 CB PRO A 41 7.956 9.763 3.182 1.00 0.00 C ATOM 567 CG PRO A 41 7.129 9.134 4.300 1.00 0.00 C ATOM 568 CD PRO A 41 7.505 9.965 5.524 1.00 0.00 C ATOM 0 HA PRO A 41 8.848 11.744 3.165 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.519 9.568 2.203 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.971 9.366 3.163 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.061 9.188 4.090 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.374 8.081 4.438 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.688 10.006 6.244 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.366 9.543 6.043 1.00 0.00 H new ATOM 576 N THR A 42 7.150 12.468 1.634 1.00 0.00 N ATOM 577 CA THR A 42 6.246 13.209 0.744 1.00 0.00 C ATOM 578 C THR A 42 5.264 12.264 0.051 1.00 0.00 C ATOM 579 O THR A 42 5.615 11.218 -0.495 1.00 0.00 O ATOM 580 CB THR A 42 7.052 14.011 -0.282 1.00 0.00 C ATOM 581 OG1 THR A 42 8.129 13.212 -0.785 1.00 0.00 O ATOM 582 CG2 THR A 42 7.567 15.317 0.330 1.00 0.00 C ATOM 0 H THR A 42 8.089 12.356 1.251 1.00 0.00 H new ATOM 0 HA THR A 42 5.664 13.907 1.347 1.00 0.00 H new ATOM 0 HB THR A 42 6.401 14.276 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.640 13.729 -1.442 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.136 15.869 -0.417 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.723 15.921 0.662 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.209 15.091 1.181 1.00 0.00 H new ATOM 590 N ALA A 43 4.008 12.619 0.255 1.00 0.00 N ATOM 591 CA ALA A 43 2.837 11.922 -0.283 1.00 0.00 C ATOM 592 C ALA A 43 2.695 12.131 -1.802 1.00 0.00 C ATOM 593 O ALA A 43 2.557 13.260 -2.267 1.00 0.00 O ATOM 594 CB ALA A 43 1.667 12.512 0.497 1.00 0.00 C ATOM 0 H ALA A 43 3.759 13.430 0.820 1.00 0.00 H new ATOM 0 HA ALA A 43 2.902 10.840 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.738 12.050 0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.806 12.321 1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.620 13.587 0.325 1.00 0.00 H new ATOM 600 N THR A 44 2.889 11.054 -2.565 1.00 0.00 N ATOM 601 CA THR A 44 2.791 11.124 -4.043 1.00 0.00 C ATOM 602 C THR A 44 1.673 10.242 -4.624 1.00 0.00 C ATOM 603 O THR A 44 1.467 9.112 -4.186 1.00 0.00 O ATOM 604 CB THR A 44 4.163 10.857 -4.700 1.00 0.00 C ATOM 605 OG1 THR A 44 4.113 11.159 -6.091 1.00 0.00 O ATOM 606 CG2 THR A 44 4.689 9.428 -4.566 1.00 0.00 C ATOM 0 H THR A 44 3.113 10.128 -2.200 1.00 0.00 H new ATOM 0 HA THR A 44 2.499 12.144 -4.292 1.00 0.00 H new ATOM 0 HB THR A 44 4.847 11.506 -4.153 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.989 10.987 -6.495 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.657 9.349 -5.061 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.800 9.179 -3.511 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.986 8.736 -5.030 1.00 0.00 H new ATOM 614 N ILE A 45 0.983 10.765 -5.635 1.00 0.00 N ATOM 615 CA ILE A 45 -0.084 10.016 -6.331 1.00 0.00 C ATOM 616 C ILE A 45 0.558 8.981 -7.270 1.00 0.00 C ATOM 617 O ILE A 45 1.329 9.290 -8.183 1.00 0.00 O ATOM 618 CB ILE A 45 -1.089 10.924 -7.069 1.00 0.00 C ATOM 619 CG1 ILE A 45 -1.700 11.951 -6.104 1.00 0.00 C ATOM 620 CG2 ILE A 45 -2.226 10.083 -7.679 1.00 0.00 C ATOM 621 CD1 ILE A 45 -2.270 13.185 -6.817 1.00 0.00 C ATOM 0 H ILE A 45 1.137 11.706 -5.998 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.679 9.501 -5.577 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.549 11.443 -7.861 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.493 11.473 -5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.938 12.270 -5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.926 10.739 -8.196 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.809 9.367 -8.387 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.748 9.547 -6.886 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.686 13.871 -6.080 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.475 13.685 -7.370 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.054 12.876 -7.508 1.00 0.00 H new ATOM 633 N VAL A 46 0.215 7.742 -6.959 1.00 0.00 N ATOM 634 CA VAL A 46 0.641 6.539 -7.695 1.00 0.00 C ATOM 635 C VAL A 46 -0.552 5.759 -8.254 1.00 0.00 C ATOM 636 O VAL A 46 -1.694 5.956 -7.842 1.00 0.00 O ATOM 637 CB VAL A 46 1.559 5.622 -6.873 1.00 0.00 C ATOM 638 CG1 VAL A 46 2.948 6.237 -6.795 1.00 0.00 C ATOM 639 CG2 VAL A 46 1.069 5.376 -5.449 1.00 0.00 C ATOM 0 H VAL A 46 -0.387 7.527 -6.164 1.00 0.00 H new ATOM 0 HA VAL A 46 1.232 6.903 -8.536 1.00 0.00 H new ATOM 0 HB VAL A 46 1.565 4.661 -7.387 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.601 5.588 -6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.353 6.350 -7.801 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.887 7.214 -6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.769 4.720 -4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.002 6.326 -4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.086 4.906 -5.479 1.00 0.00 H new ATOM 649 N HIS A 47 -0.252 4.915 -9.228 1.00 0.00 N ATOM 650 CA HIS A 47 -1.279 4.126 -9.923 1.00 0.00 C ATOM 651 C HIS A 47 -1.075 2.632 -9.640 1.00 0.00 C ATOM 652 O HIS A 47 -0.040 2.066 -9.989 1.00 0.00 O ATOM 653 CB HIS A 47 -1.210 4.463 -11.411 1.00 0.00 C ATOM 654 CG HIS A 47 -2.582 4.323 -12.080 1.00 0.00 C ATOM 655 ND1 HIS A 47 -3.516 5.259 -12.143 1.00 0.00 N ATOM 656 CD2 HIS A 47 -3.011 3.255 -12.727 1.00 0.00 C ATOM 657 CE1 HIS A 47 -4.547 4.772 -12.836 1.00 0.00 C ATOM 658 NE2 HIS A 47 -4.223 3.540 -13.199 1.00 0.00 N ATOM 0 H HIS A 47 0.698 4.752 -9.563 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.278 4.372 -9.562 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.844 5.482 -11.538 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -0.495 3.803 -11.902 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -3.458 6.191 -11.733 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.478 2.324 -12.850 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.471 5.285 -13.059 1.00 0.00 H new ATOM 666 N PHE A 48 -1.990 2.116 -8.824 1.00 0.00 N ATOM 667 CA PHE A 48 -2.009 0.723 -8.340 1.00 0.00 C ATOM 668 C PHE A 48 -2.674 -0.193 -9.377 1.00 0.00 C ATOM 669 O PHE A 48 -3.893 -0.203 -9.553 1.00 0.00 O ATOM 670 CB PHE A 48 -2.787 0.653 -7.023 1.00 0.00 C ATOM 671 CG PHE A 48 -2.204 -0.381 -6.062 1.00 0.00 C ATOM 672 CD1 PHE A 48 -2.542 -1.730 -6.136 1.00 0.00 C ATOM 673 CD2 PHE A 48 -1.365 0.054 -5.046 1.00 0.00 C ATOM 674 CE1 PHE A 48 -2.047 -2.620 -5.196 1.00 0.00 C ATOM 675 CE2 PHE A 48 -0.849 -0.832 -4.120 1.00 0.00 C ATOM 676 CZ PHE A 48 -1.192 -2.178 -4.185 1.00 0.00 C ATOM 0 H PHE A 48 -2.769 2.668 -8.465 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.984 0.389 -8.181 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.780 1.633 -6.547 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.828 0.407 -7.231 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.189 -2.082 -6.925 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.111 1.102 -4.978 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.325 -3.663 -5.246 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.181 -0.480 -3.348 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.800 -2.875 -3.459 1.00 0.00 H new ATOM 686 N LYS A 49 -1.826 -0.966 -10.041 1.00 0.00 N ATOM 687 CA LYS A 49 -2.245 -1.941 -11.065 1.00 0.00 C ATOM 688 C LYS A 49 -2.047 -3.361 -10.529 1.00 0.00 C ATOM 689 O LYS A 49 -1.029 -3.662 -9.911 1.00 0.00 O ATOM 690 CB LYS A 49 -1.459 -1.706 -12.366 1.00 0.00 C ATOM 691 CG LYS A 49 -1.548 -2.880 -13.353 1.00 0.00 C ATOM 692 CD LYS A 49 -1.599 -2.407 -14.800 1.00 0.00 C ATOM 693 CE LYS A 49 -0.291 -2.721 -15.506 1.00 0.00 C ATOM 694 NZ LYS A 49 -0.010 -1.615 -16.424 1.00 0.00 N ATOM 0 H LYS A 49 -0.817 -0.942 -9.890 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.303 -1.811 -11.292 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.834 -0.804 -12.850 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.412 -1.525 -12.122 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.687 -3.535 -13.216 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.437 -3.471 -13.133 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.425 -2.892 -15.319 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.789 -1.334 -14.832 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.517 -2.834 -14.783 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.366 -3.662 -16.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.882 -1.798 -16.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.784 -1.531 -17.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.071 -0.729 -15.885 1.00 0.00 H new ATOM 708 N VAL A 50 -3.047 -4.192 -10.790 1.00 0.00 N ATOM 709 CA VAL A 50 -3.022 -5.608 -10.381 1.00 0.00 C ATOM 710 C VAL A 50 -3.228 -6.491 -11.621 1.00 0.00 C ATOM 711 O VAL A 50 -4.288 -6.476 -12.247 1.00 0.00 O ATOM 712 CB VAL A 50 -4.074 -5.885 -9.291 1.00 0.00 C ATOM 713 CG1 VAL A 50 -3.884 -7.287 -8.716 1.00 0.00 C ATOM 714 CG2 VAL A 50 -4.009 -4.879 -8.135 1.00 0.00 C ATOM 0 H VAL A 50 -3.895 -3.917 -11.286 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.053 -5.847 -9.943 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.046 -5.791 -9.774 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.634 -7.469 -7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.993 -8.024 -9.511 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.889 -7.369 -8.279 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.773 -5.123 -7.397 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.025 -4.925 -7.668 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.183 -3.873 -8.518 1.00 0.00 H new ATOM 724 N SER A 51 -2.130 -7.095 -12.055 1.00 0.00 N ATOM 725 CA SER A 51 -2.128 -7.960 -13.248 1.00 0.00 C ATOM 726 C SER A 51 -1.366 -9.256 -12.972 1.00 0.00 C ATOM 727 O SER A 51 -0.224 -9.193 -12.533 1.00 0.00 O ATOM 728 CB SER A 51 -1.477 -7.221 -14.415 1.00 0.00 C ATOM 729 OG SER A 51 -1.811 -7.903 -15.626 1.00 0.00 O ATOM 0 H SER A 51 -1.220 -7.007 -11.602 1.00 0.00 H new ATOM 0 HA SER A 51 -3.159 -8.209 -13.500 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.827 -6.189 -14.452 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.395 -7.187 -14.286 1.00 0.00 H new ATOM 0 HG SER A 51 -1.401 -7.439 -16.386 1.00 0.00 H new ATOM 735 N ALA A 52 -2.119 -10.359 -12.990 1.00 0.00 N ATOM 736 CA ALA A 52 -1.641 -11.742 -12.751 1.00 0.00 C ATOM 737 C ALA A 52 -0.493 -11.822 -11.726 1.00 0.00 C ATOM 738 O ALA A 52 0.685 -11.880 -12.073 1.00 0.00 O ATOM 739 CB ALA A 52 -1.255 -12.385 -14.093 1.00 0.00 C ATOM 0 H ALA A 52 -3.121 -10.322 -13.178 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.460 -12.304 -12.302 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.903 -13.402 -13.921 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.125 -12.408 -14.749 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.463 -11.801 -14.562 1.00 0.00 H new ATOM 745 N GLN A 53 -0.876 -11.699 -10.452 1.00 0.00 N ATOM 746 CA GLN A 53 0.070 -11.541 -9.323 1.00 0.00 C ATOM 747 C GLN A 53 1.234 -10.576 -9.661 1.00 0.00 C ATOM 748 O GLN A 53 2.418 -10.922 -9.667 1.00 0.00 O ATOM 749 CB GLN A 53 0.503 -12.941 -8.857 1.00 0.00 C ATOM 750 CG GLN A 53 1.551 -12.884 -7.745 1.00 0.00 C ATOM 751 CD GLN A 53 1.588 -14.122 -6.870 1.00 0.00 C ATOM 752 OE1 GLN A 53 2.532 -14.992 -7.120 1.00 0.00 O flip ATOM 753 NE2 GLN A 53 0.863 -14.238 -5.895 1.00 0.00 N flip ATOM 0 H GLN A 53 -1.855 -11.705 -10.164 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.420 -11.051 -8.481 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.370 -13.490 -8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.906 -13.495 -9.705 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.534 -12.738 -8.193 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.354 -12.014 -7.118 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.133 -13.549 -5.718 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.988 -15.024 -5.257 1.00 0.00 H new ATOM 762 N GLY A 54 0.867 -9.302 -9.803 1.00 0.00 N ATOM 763 CA GLY A 54 1.825 -8.286 -10.276 1.00 0.00 C ATOM 764 C GLY A 54 1.260 -6.890 -10.058 1.00 0.00 C ATOM 765 O GLY A 54 0.317 -6.470 -10.726 1.00 0.00 O ATOM 0 H GLY A 54 -0.068 -8.947 -9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.770 -8.391 -9.744 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.036 -8.440 -11.334 1.00 0.00 H new ATOM 769 N ILE A 55 1.668 -6.363 -8.915 1.00 0.00 N ATOM 770 CA ILE A 55 1.261 -5.025 -8.465 1.00 0.00 C ATOM 771 C ILE A 55 2.262 -4.015 -9.038 1.00 0.00 C ATOM 772 O ILE A 55 3.468 -4.124 -8.852 1.00 0.00 O ATOM 773 CB ILE A 55 1.225 -4.954 -6.926 1.00 0.00 C ATOM 774 CG1 ILE A 55 0.470 -6.109 -6.236 1.00 0.00 C ATOM 775 CG2 ILE A 55 0.751 -3.579 -6.456 1.00 0.00 C ATOM 776 CD1 ILE A 55 -0.923 -6.436 -6.777 1.00 0.00 C ATOM 0 H ILE A 55 2.291 -6.844 -8.267 1.00 0.00 H new ATOM 0 HA ILE A 55 0.255 -4.797 -8.818 1.00 0.00 H new ATOM 0 HB ILE A 55 2.256 -5.093 -6.602 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.083 -7.008 -6.308 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.377 -5.870 -5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.734 -3.553 -5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.432 -2.813 -6.827 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.252 -3.389 -6.839 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.348 -7.264 -6.210 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.566 -5.561 -6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.849 -6.716 -7.828 1.00 0.00 H new ATOM 788 N THR A 56 1.729 -3.037 -9.740 1.00 0.00 N ATOM 789 CA THR A 56 2.550 -1.983 -10.365 1.00 0.00 C ATOM 790 C THR A 56 2.145 -0.625 -9.791 1.00 0.00 C ATOM 791 O THR A 56 0.976 -0.407 -9.477 1.00 0.00 O ATOM 792 CB THR A 56 2.426 -2.074 -11.893 1.00 0.00 C ATOM 793 OG1 THR A 56 2.913 -3.361 -12.281 1.00 0.00 O ATOM 794 CG2 THR A 56 3.210 -0.996 -12.650 1.00 0.00 C ATOM 0 H THR A 56 0.727 -2.937 -9.901 1.00 0.00 H new ATOM 0 HA THR A 56 3.607 -2.117 -10.136 1.00 0.00 H new ATOM 0 HB THR A 56 1.378 -1.919 -12.151 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.847 -3.456 -13.254 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.070 -1.130 -13.723 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.849 -0.010 -12.357 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.270 -1.080 -12.409 1.00 0.00 H new ATOM 802 N LEU A 57 3.187 0.124 -9.446 1.00 0.00 N ATOM 803 CA LEU A 57 3.071 1.474 -8.872 1.00 0.00 C ATOM 804 C LEU A 57 3.898 2.488 -9.656 1.00 0.00 C ATOM 805 O LEU A 57 5.126 2.427 -9.669 1.00 0.00 O ATOM 806 CB LEU A 57 3.484 1.461 -7.400 1.00 0.00 C ATOM 807 CG LEU A 57 2.401 0.791 -6.556 1.00 0.00 C ATOM 808 CD1 LEU A 57 2.989 0.345 -5.221 1.00 0.00 C ATOM 809 CD2 LEU A 57 1.244 1.765 -6.330 1.00 0.00 C ATOM 0 H LEU A 57 4.152 -0.187 -9.556 1.00 0.00 H new ATOM 0 HA LEU A 57 2.027 1.780 -8.941 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.428 0.928 -7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.649 2.481 -7.052 1.00 0.00 H new ATOM 0 HG LEU A 57 2.023 -0.085 -7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.213 -0.132 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.798 -0.364 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.377 1.212 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.474 1.282 -5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.610 2.650 -5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.822 2.058 -7.291 1.00 0.00 H new ATOM 821 N THR A 58 3.158 3.271 -10.429 1.00 0.00 N ATOM 822 CA THR A 58 3.736 4.309 -11.303 1.00 0.00 C ATOM 823 C THR A 58 3.480 5.698 -10.703 1.00 0.00 C ATOM 824 O THR A 58 2.459 5.950 -10.064 1.00 0.00 O ATOM 825 CB THR A 58 3.152 4.252 -12.729 1.00 0.00 C ATOM 826 OG1 THR A 58 1.800 4.710 -12.733 1.00 0.00 O ATOM 827 CG2 THR A 58 3.197 2.843 -13.337 1.00 0.00 C ATOM 0 H THR A 58 2.141 3.213 -10.475 1.00 0.00 H new ATOM 0 HA THR A 58 4.808 4.121 -11.370 1.00 0.00 H new ATOM 0 HB THR A 58 3.778 4.902 -13.340 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.444 4.670 -13.645 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.773 2.866 -14.341 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.231 2.502 -13.388 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.620 2.160 -12.715 1.00 0.00 H new ATOM 835 N ASP A 59 4.480 6.553 -10.857 1.00 0.00 N ATOM 836 CA ASP A 59 4.417 7.974 -10.464 1.00 0.00 C ATOM 837 C ASP A 59 3.553 8.799 -11.428 1.00 0.00 C ATOM 838 O ASP A 59 3.982 9.120 -12.534 1.00 0.00 O ATOM 839 CB ASP A 59 5.828 8.565 -10.359 1.00 0.00 C ATOM 840 CG ASP A 59 6.694 8.406 -11.621 1.00 0.00 C ATOM 841 OD1 ASP A 59 6.890 7.246 -12.056 1.00 0.00 O ATOM 842 OD2 ASP A 59 7.188 9.459 -12.075 1.00 0.00 O ATOM 0 H ASP A 59 5.377 6.286 -11.264 1.00 0.00 H new ATOM 0 HA ASP A 59 3.942 8.022 -9.484 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.745 9.626 -10.125 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.342 8.093 -9.522 1.00 0.00 H new ATOM 847 N ASN A 60 2.365 9.154 -10.952 1.00 0.00 N ATOM 848 CA ASN A 60 1.435 10.004 -11.723 1.00 0.00 C ATOM 849 C ASN A 60 1.290 11.426 -11.143 1.00 0.00 C ATOM 850 O ASN A 60 0.522 12.239 -11.657 1.00 0.00 O ATOM 851 CB ASN A 60 0.076 9.303 -11.798 1.00 0.00 C ATOM 852 CG ASN A 60 -0.589 9.547 -13.154 1.00 0.00 C ATOM 853 OD1 ASN A 60 -0.353 8.844 -14.126 1.00 0.00 O ATOM 854 ND2 ASN A 60 -1.419 10.559 -13.254 1.00 0.00 N ATOM 0 H ASN A 60 2.014 8.872 -10.037 1.00 0.00 H new ATOM 0 HA ASN A 60 1.849 10.135 -12.723 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.205 8.232 -11.639 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.571 9.668 -11.000 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.871 10.762 -14.146 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.612 11.142 -12.440 1.00 0.00 H new ATOM 861 N GLN A 61 1.998 11.690 -10.046 1.00 0.00 N ATOM 862 CA GLN A 61 2.028 13.014 -9.399 1.00 0.00 C ATOM 863 C GLN A 61 2.692 14.073 -10.296 1.00 0.00 C ATOM 864 O GLN A 61 1.999 14.904 -10.875 1.00 0.00 O ATOM 865 CB GLN A 61 2.727 12.893 -8.042 1.00 0.00 C ATOM 866 CG GLN A 61 2.715 14.169 -7.193 1.00 0.00 C ATOM 867 CD GLN A 61 1.291 14.517 -6.770 1.00 0.00 C ATOM 868 OE1 GLN A 61 0.710 13.874 -5.909 1.00 0.00 O ATOM 869 NE2 GLN A 61 0.667 15.432 -7.478 1.00 0.00 N ATOM 0 H GLN A 61 2.572 10.992 -9.573 1.00 0.00 H new ATOM 0 HA GLN A 61 1.005 13.355 -9.239 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.252 12.093 -7.475 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.762 12.595 -8.208 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.339 14.031 -6.310 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.144 14.995 -7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.172 15.957 -8.192 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.322 15.617 -7.313 1.00 0.00 H new ATOM 983 N ARG A 67 8.897 3.738 -11.471 1.00 0.00 N ATOM 984 CA ARG A 67 7.818 2.773 -11.203 1.00 0.00 C ATOM 985 C ARG A 67 8.405 1.441 -10.719 1.00 0.00 C ATOM 986 O ARG A 67 9.494 1.034 -11.126 1.00 0.00 O ATOM 987 CB ARG A 67 6.955 2.569 -12.453 1.00 0.00 C ATOM 988 CG ARG A 67 7.759 2.036 -13.641 1.00 0.00 C ATOM 989 CD ARG A 67 6.830 1.449 -14.701 1.00 0.00 C ATOM 990 NE ARG A 67 6.712 2.358 -15.853 1.00 0.00 N ATOM 991 CZ ARG A 67 7.611 2.526 -16.829 1.00 0.00 C ATOM 992 NH1 ARG A 67 8.786 1.906 -16.827 1.00 0.00 N ATOM 993 NH2 ARG A 67 7.347 3.350 -17.827 1.00 0.00 N ATOM 0 HA ARG A 67 7.180 3.173 -10.415 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.148 1.873 -12.223 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.491 3.516 -12.728 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.352 2.841 -14.075 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.458 1.273 -13.300 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.212 0.483 -15.032 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.845 1.271 -14.270 1.00 0.00 H new ATOM 0 HE ARG A 67 5.860 2.915 -15.913 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.029 1.276 -16.063 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.445 2.060 -17.590 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.461 3.855 -17.851 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.029 3.482 -18.574 1.00 0.00 H new ATOM 1007 N ARG A 68 7.678 0.817 -9.803 1.00 0.00 N ATOM 1008 CA ARG A 68 8.032 -0.526 -9.306 1.00 0.00 C ATOM 1009 C ARG A 68 6.928 -1.565 -9.529 1.00 0.00 C ATOM 1010 O ARG A 68 5.754 -1.231 -9.696 1.00 0.00 O ATOM 1011 CB ARG A 68 8.420 -0.518 -7.828 1.00 0.00 C ATOM 1012 CG ARG A 68 9.753 0.164 -7.537 1.00 0.00 C ATOM 1013 CD ARG A 68 10.328 -0.369 -6.221 1.00 0.00 C ATOM 1014 NE ARG A 68 11.311 -1.447 -6.464 1.00 0.00 N ATOM 1015 CZ ARG A 68 12.575 -1.265 -6.866 1.00 0.00 C ATOM 1016 NH1 ARG A 68 13.061 -0.047 -7.071 1.00 0.00 N ATOM 1017 NH2 ARG A 68 13.388 -2.293 -7.053 1.00 0.00 N ATOM 0 H ARG A 68 6.837 1.211 -9.382 1.00 0.00 H new ATOM 0 HA ARG A 68 8.898 -0.817 -9.900 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.636 -0.016 -7.260 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.465 -1.546 -7.470 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.453 -0.021 -8.352 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.614 1.243 -7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.804 0.444 -5.673 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.520 -0.745 -5.594 1.00 0.00 H new ATOM 0 HE ARG A 68 11.001 -2.407 -6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.469 0.770 -6.922 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.027 0.072 -7.377 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.054 -3.243 -6.891 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.348 -2.135 -7.360 1.00 0.00 H new ATOM 1031 N HIS A 69 7.359 -2.823 -9.474 1.00 0.00 N ATOM 1032 CA HIS A 69 6.474 -3.990 -9.626 1.00 0.00 C ATOM 1033 C HIS A 69 6.675 -4.958 -8.450 1.00 0.00 C ATOM 1034 O HIS A 69 7.779 -5.426 -8.181 1.00 0.00 O ATOM 1035 CB HIS A 69 6.649 -4.661 -10.998 1.00 0.00 C ATOM 1036 CG HIS A 69 7.931 -5.499 -11.159 1.00 0.00 C ATOM 1037 ND1 HIS A 69 9.139 -5.043 -11.451 1.00 0.00 N ATOM 1038 CD2 HIS A 69 8.016 -6.809 -10.951 1.00 0.00 C ATOM 1039 CE1 HIS A 69 9.988 -6.075 -11.391 1.00 0.00 C ATOM 1040 NE2 HIS A 69 9.292 -7.163 -11.082 1.00 0.00 N ATOM 0 H HIS A 69 8.337 -3.070 -9.322 1.00 0.00 H new ATOM 0 HA HIS A 69 5.437 -3.654 -9.597 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.788 -5.304 -11.183 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.640 -3.888 -11.766 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.194 -7.470 -10.717 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.053 -6.031 -11.564 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.669 -8.104 -10.966 1.00 0.00 H new ATOM 1048 N TYR A 70 5.645 -5.010 -7.625 1.00 0.00 N ATOM 1049 CA TYR A 70 5.567 -5.868 -6.433 1.00 0.00 C ATOM 1050 C TYR A 70 4.616 -7.047 -6.695 1.00 0.00 C ATOM 1051 O TYR A 70 3.406 -6.848 -6.750 1.00 0.00 O ATOM 1052 CB TYR A 70 5.071 -5.034 -5.248 1.00 0.00 C ATOM 1053 CG TYR A 70 6.145 -4.047 -4.799 1.00 0.00 C ATOM 1054 CD1 TYR A 70 6.256 -2.793 -5.393 1.00 0.00 C ATOM 1055 CD2 TYR A 70 7.021 -4.422 -3.789 1.00 0.00 C ATOM 1056 CE1 TYR A 70 7.232 -1.917 -4.950 1.00 0.00 C ATOM 1057 CE2 TYR A 70 8.012 -3.552 -3.364 1.00 0.00 C ATOM 1058 CZ TYR A 70 8.104 -2.289 -3.934 1.00 0.00 C ATOM 1059 OH TYR A 70 8.919 -1.360 -3.381 1.00 0.00 O ATOM 0 H TYR A 70 4.808 -4.443 -7.761 1.00 0.00 H new ATOM 0 HA TYR A 70 6.554 -6.269 -6.203 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.167 -4.493 -5.530 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.804 -5.691 -4.420 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.587 -2.506 -6.191 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.929 -5.397 -3.333 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.316 -0.938 -5.397 1.00 0.00 H new ATOM 0 HE2 TYR A 70 8.708 -3.854 -2.595 1.00 0.00 H new ATOM 0 HH TYR A 70 9.466 -1.778 -2.684 1.00 0.00 H new ATOM 1069 N PRO A 71 5.125 -8.243 -6.994 1.00 0.00 N ATOM 1070 CA PRO A 71 4.244 -9.407 -7.212 1.00 0.00 C ATOM 1071 C PRO A 71 3.508 -9.748 -5.908 1.00 0.00 C ATOM 1072 O PRO A 71 4.109 -9.710 -4.840 1.00 0.00 O ATOM 1073 CB PRO A 71 5.181 -10.514 -7.697 1.00 0.00 C ATOM 1074 CG PRO A 71 6.554 -10.138 -7.136 1.00 0.00 C ATOM 1075 CD PRO A 71 6.551 -8.607 -7.091 1.00 0.00 C ATOM 0 HA PRO A 71 3.456 -9.237 -7.946 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.860 -11.491 -7.335 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.200 -10.568 -8.786 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.706 -10.563 -6.144 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.357 -10.514 -7.770 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.115 -8.234 -6.236 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.009 -8.183 -7.985 1.00 0.00 H new ATOM 1083 N LEU A 72 2.227 -10.105 -6.007 1.00 0.00 N ATOM 1084 CA LEU A 72 1.404 -10.528 -4.842 1.00 0.00 C ATOM 1085 C LEU A 72 2.019 -11.664 -4.007 1.00 0.00 C ATOM 1086 O LEU A 72 1.793 -11.725 -2.804 1.00 0.00 O ATOM 1087 CB LEU A 72 -0.004 -10.941 -5.276 1.00 0.00 C ATOM 1088 CG LEU A 72 -1.051 -9.842 -5.094 1.00 0.00 C ATOM 1089 CD1 LEU A 72 -2.130 -10.009 -6.163 1.00 0.00 C ATOM 1090 CD2 LEU A 72 -1.700 -9.953 -3.710 1.00 0.00 C ATOM 0 H LEU A 72 1.718 -10.114 -6.891 1.00 0.00 H new ATOM 0 HA LEU A 72 1.364 -9.645 -4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.021 -11.237 -6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.308 -11.818 -4.705 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.570 -8.868 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.884 -9.231 -6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.678 -9.929 -7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.599 -10.987 -6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.444 -9.165 -3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.183 -10.925 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.936 -9.848 -2.940 1.00 0.00 H new ATOM 1102 N ASN A 73 2.973 -12.373 -4.619 1.00 0.00 N ATOM 1103 CA ASN A 73 3.828 -13.385 -3.968 1.00 0.00 C ATOM 1104 C ASN A 73 4.532 -12.822 -2.717 1.00 0.00 C ATOM 1105 O ASN A 73 4.875 -13.556 -1.796 1.00 0.00 O ATOM 1106 CB ASN A 73 4.881 -13.856 -4.980 1.00 0.00 C ATOM 1107 CG ASN A 73 5.768 -14.952 -4.389 1.00 0.00 C ATOM 1108 OD1 ASN A 73 6.919 -14.746 -4.030 1.00 0.00 O ATOM 1109 ND2 ASN A 73 5.214 -16.135 -4.259 1.00 0.00 N ATOM 0 H ASN A 73 3.182 -12.259 -5.611 1.00 0.00 H new ATOM 0 HA ASN A 73 3.199 -14.215 -3.645 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.386 -14.230 -5.876 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.498 -13.011 -5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.745 -16.905 -3.852 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.253 -16.284 -4.565 1.00 0.00 H new ATOM 1116 N THR A 74 4.768 -11.516 -2.773 1.00 0.00 N ATOM 1117 CA THR A 74 5.416 -10.729 -1.713 1.00 0.00 C ATOM 1118 C THR A 74 4.345 -10.146 -0.778 1.00 0.00 C ATOM 1119 O THR A 74 4.441 -10.316 0.432 1.00 0.00 O ATOM 1120 CB THR A 74 6.308 -9.615 -2.303 1.00 0.00 C ATOM 1121 OG1 THR A 74 5.549 -8.475 -2.722 1.00 0.00 O ATOM 1122 CG2 THR A 74 7.120 -10.107 -3.506 1.00 0.00 C ATOM 0 H THR A 74 4.508 -10.951 -3.581 1.00 0.00 H new ATOM 0 HA THR A 74 6.067 -11.387 -1.138 1.00 0.00 H new ATOM 0 HB THR A 74 6.980 -9.328 -1.494 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.962 -8.728 -3.465 1.00 0.00 H new ATOM 0 HG21 THR A 74 7.733 -9.291 -3.889 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.764 -10.931 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.442 -10.449 -4.287 1.00 0.00 H new ATOM 1130 N VAL A 75 3.290 -9.563 -1.348 1.00 0.00 N ATOM 1131 CA VAL A 75 2.183 -8.915 -0.615 1.00 0.00 C ATOM 1132 C VAL A 75 1.353 -9.991 0.118 1.00 0.00 C ATOM 1133 O VAL A 75 0.347 -10.496 -0.375 1.00 0.00 O ATOM 1134 CB VAL A 75 1.329 -8.051 -1.571 1.00 0.00 C ATOM 1135 CG1 VAL A 75 0.250 -7.280 -0.810 1.00 0.00 C ATOM 1136 CG2 VAL A 75 2.165 -7.041 -2.367 1.00 0.00 C ATOM 0 H VAL A 75 3.171 -9.523 -2.360 1.00 0.00 H new ATOM 0 HA VAL A 75 2.584 -8.236 0.138 1.00 0.00 H new ATOM 0 HB VAL A 75 0.872 -8.755 -2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.333 -6.682 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.407 -7.983 -0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.720 -6.624 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.512 -6.463 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.676 -6.368 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.902 -7.573 -2.969 1.00 0.00 H new ATOM 1146 N THR A 76 1.849 -10.316 1.305 1.00 0.00 N ATOM 1147 CA THR A 76 1.291 -11.318 2.237 1.00 0.00 C ATOM 1148 C THR A 76 -0.037 -10.828 2.821 1.00 0.00 C ATOM 1149 O THR A 76 -1.050 -11.520 2.809 1.00 0.00 O ATOM 1150 CB THR A 76 2.258 -11.659 3.392 1.00 0.00 C ATOM 1151 OG1 THR A 76 2.538 -10.543 4.252 1.00 0.00 O ATOM 1152 CG2 THR A 76 3.570 -12.238 2.865 1.00 0.00 C ATOM 0 H THR A 76 2.691 -9.873 1.672 1.00 0.00 H new ATOM 0 HA THR A 76 1.132 -12.226 1.655 1.00 0.00 H new ATOM 0 HB THR A 76 1.740 -12.408 3.990 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.881 -9.796 3.718 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.229 -12.467 3.702 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.366 -13.150 2.304 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.053 -11.510 2.212 1.00 0.00 H new ATOM 1160 N PHE A 77 0.038 -9.625 3.376 1.00 0.00 N ATOM 1161 CA PHE A 77 -1.094 -8.975 4.044 1.00 0.00 C ATOM 1162 C PHE A 77 -1.326 -7.601 3.431 1.00 0.00 C ATOM 1163 O PHE A 77 -0.409 -6.792 3.431 1.00 0.00 O ATOM 1164 CB PHE A 77 -0.730 -8.827 5.522 1.00 0.00 C ATOM 1165 CG PHE A 77 -1.965 -9.035 6.385 1.00 0.00 C ATOM 1166 CD1 PHE A 77 -2.688 -10.216 6.255 1.00 0.00 C ATOM 1167 CD2 PHE A 77 -2.332 -8.084 7.331 1.00 0.00 C ATOM 1168 CE1 PHE A 77 -3.782 -10.449 7.067 1.00 0.00 C ATOM 1169 CE2 PHE A 77 -3.429 -8.319 8.142 1.00 0.00 C ATOM 1170 CZ PHE A 77 -4.155 -9.502 8.013 1.00 0.00 C ATOM 0 H PHE A 77 0.890 -9.065 3.378 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.003 -9.565 3.929 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.038 -9.553 5.790 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.311 -7.837 5.705 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.395 -10.951 5.520 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.766 -7.170 7.432 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.346 -11.365 6.966 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.723 -7.584 8.877 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.009 -9.683 8.649 1.00 0.00 H new ATOM 1180 N CYS A 78 -2.561 -7.340 3.032 1.00 0.00 N ATOM 1181 CA CYS A 78 -2.950 -6.070 2.390 1.00 0.00 C ATOM 1182 C CYS A 78 -4.336 -5.616 2.852 1.00 0.00 C ATOM 1183 O CYS A 78 -5.372 -5.996 2.310 1.00 0.00 O ATOM 1184 CB CYS A 78 -2.846 -6.193 0.866 1.00 0.00 C ATOM 1185 SG CYS A 78 -3.453 -7.773 0.169 1.00 0.00 S ATOM 0 H CYS A 78 -3.333 -7.998 3.140 1.00 0.00 H new ATOM 0 HA CYS A 78 -2.255 -5.290 2.701 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -3.406 -5.375 0.412 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -1.803 -6.064 0.577 1.00 0.00 H new ATOM 0 HG CYS A 78 -4.701 -7.940 0.494 1.00 0.00 H new ATOM 1191 N ASP A 79 -4.303 -4.989 4.019 1.00 0.00 N ATOM 1192 CA ASP A 79 -5.510 -4.496 4.702 1.00 0.00 C ATOM 1193 C ASP A 79 -5.339 -3.066 5.225 1.00 0.00 C ATOM 1194 O ASP A 79 -4.238 -2.513 5.255 1.00 0.00 O ATOM 1195 CB ASP A 79 -5.940 -5.467 5.810 1.00 0.00 C ATOM 1196 CG ASP A 79 -6.600 -6.743 5.267 1.00 0.00 C ATOM 1197 OD1 ASP A 79 -7.544 -6.609 4.459 1.00 0.00 O ATOM 1198 OD2 ASP A 79 -6.243 -7.818 5.791 1.00 0.00 O ATOM 0 H ASP A 79 -3.439 -4.803 4.528 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.312 -4.454 3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.068 -5.740 6.404 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.636 -4.961 6.479 1.00 0.00 H new ATOM 1203 N LEU A 80 -6.472 -2.464 5.580 1.00 0.00 N ATOM 1204 CA LEU A 80 -6.489 -1.143 6.237 1.00 0.00 C ATOM 1205 C LEU A 80 -5.694 -1.185 7.547 1.00 0.00 C ATOM 1206 O LEU A 80 -5.329 -2.245 8.061 1.00 0.00 O ATOM 1207 CB LEU A 80 -7.921 -0.688 6.566 1.00 0.00 C ATOM 1208 CG LEU A 80 -8.710 0.043 5.469 1.00 0.00 C ATOM 1209 CD1 LEU A 80 -8.028 1.331 5.013 1.00 0.00 C ATOM 1210 CD2 LEU A 80 -9.015 -0.873 4.296 1.00 0.00 C ATOM 0 H LEU A 80 -7.397 -2.865 5.426 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.039 -0.439 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.493 -1.568 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.873 -0.034 7.436 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.660 0.337 5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.629 1.806 4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.928 2.009 5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.040 1.099 4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.574 -0.322 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.082 -1.235 3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.609 -1.720 4.640 1.00 0.00 H new ATOM 1222 N ASP A 81 -5.390 0.002 8.047 1.00 0.00 N ATOM 1223 CA ASP A 81 -4.725 0.139 9.349 1.00 0.00 C ATOM 1224 C ASP A 81 -5.613 -0.358 10.519 1.00 0.00 C ATOM 1225 O ASP A 81 -6.748 0.105 10.641 1.00 0.00 O ATOM 1226 CB ASP A 81 -4.303 1.606 9.457 1.00 0.00 C ATOM 1227 CG ASP A 81 -3.864 1.986 10.864 1.00 0.00 C ATOM 1228 OD1 ASP A 81 -2.939 1.330 11.392 1.00 0.00 O ATOM 1229 OD2 ASP A 81 -4.653 2.722 11.479 1.00 0.00 O ATOM 0 H ASP A 81 -5.589 0.886 7.579 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.845 -0.500 9.421 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.486 1.798 8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.135 2.243 9.155 1.00 0.00 H new ATOM 1234 N PRO A 82 -5.057 -1.161 11.446 1.00 0.00 N ATOM 1235 CA PRO A 82 -5.765 -1.629 12.652 1.00 0.00 C ATOM 1236 C PRO A 82 -6.018 -0.509 13.677 1.00 0.00 C ATOM 1237 O PRO A 82 -7.058 -0.501 14.325 1.00 0.00 O ATOM 1238 CB PRO A 82 -4.890 -2.750 13.218 1.00 0.00 C ATOM 1239 CG PRO A 82 -3.477 -2.343 12.808 1.00 0.00 C ATOM 1240 CD PRO A 82 -3.688 -1.711 11.432 1.00 0.00 C ATOM 0 HA PRO A 82 -6.767 -1.982 12.406 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.987 -2.827 14.301 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.164 -3.720 12.804 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.039 -1.637 13.514 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.807 -3.202 12.760 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.954 -0.927 11.245 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.572 -2.451 10.640 1.00 0.00 H new ATOM 1248 N GLN A 83 -5.127 0.483 13.700 1.00 0.00 N ATOM 1249 CA GLN A 83 -5.254 1.702 14.530 1.00 0.00 C ATOM 1250 C GLN A 83 -6.421 2.617 14.092 1.00 0.00 C ATOM 1251 O GLN A 83 -6.630 3.672 14.684 1.00 0.00 O ATOM 1252 CB GLN A 83 -3.944 2.503 14.458 1.00 0.00 C ATOM 1253 CG GLN A 83 -2.675 1.753 14.890 1.00 0.00 C ATOM 1254 CD GLN A 83 -2.489 1.626 16.408 1.00 0.00 C ATOM 1255 OE1 GLN A 83 -3.060 2.330 17.227 1.00 0.00 O ATOM 1256 NE2 GLN A 83 -1.629 0.721 16.815 1.00 0.00 N ATOM 0 H GLN A 83 -4.278 0.470 13.135 1.00 0.00 H new ATOM 0 HA GLN A 83 -5.463 1.372 15.547 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.808 2.848 13.433 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.049 3.391 15.082 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.695 0.754 14.455 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -1.808 2.265 14.473 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -1.150 0.131 16.135 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.440 0.608 17.811 1.00 0.00 H new ATOM 1265 N GLU A 84 -7.102 2.259 12.992 1.00 0.00 N ATOM 1266 CA GLU A 84 -8.190 3.051 12.377 1.00 0.00 C ATOM 1267 C GLU A 84 -7.842 4.539 12.176 1.00 0.00 C ATOM 1268 O GLU A 84 -8.601 5.451 12.497 1.00 0.00 O ATOM 1269 CB GLU A 84 -9.499 2.836 13.149 1.00 0.00 C ATOM 1270 CG GLU A 84 -10.202 1.547 12.716 1.00 0.00 C ATOM 1271 CD GLU A 84 -10.864 1.717 11.345 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -10.160 1.495 10.334 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -12.067 2.058 11.335 1.00 0.00 O ATOM 0 H GLU A 84 -6.910 1.392 12.491 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.329 2.678 11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.289 2.796 14.218 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.162 3.686 12.986 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.481 0.731 12.677 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.954 1.273 13.456 1.00 0.00 H new ATOM 1280 N ARG A 85 -6.645 4.736 11.636 1.00 0.00 N ATOM 1281 CA ARG A 85 -6.096 6.066 11.338 1.00 0.00 C ATOM 1282 C ARG A 85 -6.086 6.365 9.835 1.00 0.00 C ATOM 1283 O ARG A 85 -6.371 5.516 8.987 1.00 0.00 O ATOM 1284 CB ARG A 85 -4.685 6.213 11.917 1.00 0.00 C ATOM 1285 CG ARG A 85 -4.715 6.545 13.409 1.00 0.00 C ATOM 1286 CD ARG A 85 -3.335 6.982 13.916 1.00 0.00 C ATOM 1287 NE ARG A 85 -3.308 8.416 14.280 1.00 0.00 N ATOM 1288 CZ ARG A 85 -3.959 8.990 15.301 1.00 0.00 C ATOM 1289 NH1 ARG A 85 -4.744 8.290 16.106 1.00 0.00 N ATOM 1290 NH2 ARG A 85 -3.836 10.287 15.538 1.00 0.00 N ATOM 0 H ARG A 85 -6.016 3.972 11.388 1.00 0.00 H new ATOM 0 HA ARG A 85 -6.753 6.795 11.813 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.130 5.288 11.762 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.152 6.998 11.381 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.439 7.339 13.591 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.050 5.673 13.970 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.061 6.382 14.784 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.588 6.789 13.146 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.738 9.028 13.696 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.865 7.288 15.956 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.228 8.753 16.876 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.241 10.860 14.940 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.337 10.713 16.318 1.00 0.00 H new ATOM 1304 N LYS A 86 -5.767 7.618 9.552 1.00 0.00 N ATOM 1305 CA LYS A 86 -5.655 8.129 8.179 1.00 0.00 C ATOM 1306 C LYS A 86 -4.274 8.757 7.987 1.00 0.00 C ATOM 1307 O LYS A 86 -3.610 9.130 8.954 1.00 0.00 O ATOM 1308 CB LYS A 86 -6.770 9.130 7.850 1.00 0.00 C ATOM 1309 CG LYS A 86 -6.839 10.334 8.791 1.00 0.00 C ATOM 1310 CD LYS A 86 -7.839 11.359 8.260 1.00 0.00 C ATOM 1311 CE LYS A 86 -8.433 12.178 9.406 1.00 0.00 C ATOM 1312 NZ LYS A 86 -9.481 11.415 10.102 1.00 0.00 N ATOM 0 H LYS A 86 -5.576 8.320 10.267 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.772 7.295 7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.629 9.489 6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.727 8.610 7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.135 10.009 9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.853 10.790 8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.345 12.022 7.550 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.636 10.850 7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.647 12.451 10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.850 13.107 9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.562 11.751 11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.390 11.548 9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.233 10.405 10.102 1.00 0.00 H new ATOM 1326 N TRP A 87 -3.842 8.790 6.733 1.00 0.00 N ATOM 1327 CA TRP A 87 -2.609 9.504 6.372 1.00 0.00 C ATOM 1328 C TRP A 87 -2.745 10.989 6.740 1.00 0.00 C ATOM 1329 O TRP A 87 -3.845 11.537 6.842 1.00 0.00 O ATOM 1330 CB TRP A 87 -2.352 9.346 4.875 1.00 0.00 C ATOM 1331 CG TRP A 87 -1.115 10.104 4.374 1.00 0.00 C ATOM 1332 CD1 TRP A 87 -1.112 11.054 3.443 1.00 0.00 C ATOM 1333 CD2 TRP A 87 0.186 9.951 4.812 1.00 0.00 C ATOM 1334 NE1 TRP A 87 0.133 11.495 3.267 1.00 0.00 N ATOM 1335 CE2 TRP A 87 0.957 10.849 4.078 1.00 0.00 C ATOM 1336 CE3 TRP A 87 0.788 9.053 5.683 1.00 0.00 C ATOM 1337 CZ2 TRP A 87 2.340 10.853 4.211 1.00 0.00 C ATOM 1338 CZ3 TRP A 87 2.165 9.110 5.858 1.00 0.00 C ATOM 1339 CH2 TRP A 87 2.941 9.994 5.120 1.00 0.00 C ATOM 0 H TRP A 87 -4.316 8.338 5.951 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.766 9.085 6.922 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.235 8.287 4.646 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.227 9.695 4.327 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.982 11.412 2.913 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.410 12.221 2.607 1.00 0.00 H new ATOM 0 HE3 TRP A 87 0.196 8.323 6.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 2.942 11.519 3.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 2.638 8.458 6.577 1.00 0.00 H new ATOM 0 HH2 TRP A 87 4.013 10.013 5.254 1.00 0.00 H new ATOM 1437 N PRO A 95 -8.139 14.917 3.500 1.00 0.00 N ATOM 1438 CA PRO A 95 -8.047 13.733 4.368 1.00 0.00 C ATOM 1439 C PRO A 95 -8.330 12.467 3.557 1.00 0.00 C ATOM 1440 O PRO A 95 -9.265 12.391 2.762 1.00 0.00 O ATOM 1441 CB PRO A 95 -9.068 13.974 5.480 1.00 0.00 C ATOM 1442 CG PRO A 95 -10.147 14.820 4.807 1.00 0.00 C ATOM 1443 CD PRO A 95 -9.365 15.685 3.818 1.00 0.00 C ATOM 0 HA PRO A 95 -7.054 13.587 4.794 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -9.474 13.037 5.860 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -8.622 14.495 6.327 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.884 14.198 4.299 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.688 15.429 5.531 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -9.950 15.879 2.919 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.119 16.653 4.254 1.00 0.00 H new ATOM 1451 N ALA A 96 -7.407 11.534 3.717 1.00 0.00 N ATOM 1452 CA ALA A 96 -7.428 10.257 2.997 1.00 0.00 C ATOM 1453 C ALA A 96 -7.125 9.150 4.004 1.00 0.00 C ATOM 1454 O ALA A 96 -6.177 9.253 4.783 1.00 0.00 O ATOM 1455 CB ALA A 96 -6.346 10.305 1.917 1.00 0.00 C ATOM 0 H ALA A 96 -6.615 11.635 4.352 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.395 10.071 2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.340 9.365 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.553 11.127 1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.373 10.458 2.384 1.00 0.00 H new ATOM 1461 N LYS A 97 -7.968 8.122 3.977 1.00 0.00 N ATOM 1462 CA LYS A 97 -7.803 6.925 4.823 1.00 0.00 C ATOM 1463 C LYS A 97 -6.403 6.326 4.641 1.00 0.00 C ATOM 1464 O LYS A 97 -5.712 6.598 3.659 1.00 0.00 O ATOM 1465 CB LYS A 97 -8.859 5.888 4.442 1.00 0.00 C ATOM 1466 CG LYS A 97 -9.772 5.578 5.623 1.00 0.00 C ATOM 1467 CD LYS A 97 -10.950 4.710 5.184 1.00 0.00 C ATOM 1468 CE LYS A 97 -11.631 4.122 6.421 1.00 0.00 C ATOM 1469 NZ LYS A 97 -13.022 3.737 6.150 1.00 0.00 N ATOM 0 H LYS A 97 -8.788 8.087 3.371 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.925 7.211 5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.453 6.259 3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.371 4.973 4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.206 5.065 6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.141 6.507 6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.661 5.305 4.611 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.604 3.910 4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.073 3.250 6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.608 4.852 7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.448 3.343 7.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.561 4.574 5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.043 3.021 5.396 1.00 0.00 H new ATOM 1483 N LEU A 98 -6.011 5.526 5.615 1.00 0.00 N ATOM 1484 CA LEU A 98 -4.685 4.908 5.601 1.00 0.00 C ATOM 1485 C LEU A 98 -4.792 3.385 5.548 1.00 0.00 C ATOM 1486 O LEU A 98 -5.522 2.752 6.314 1.00 0.00 O ATOM 1487 CB LEU A 98 -4.001 5.388 6.868 1.00 0.00 C ATOM 1488 CG LEU A 98 -2.731 4.649 7.239 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -1.519 5.126 6.435 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -2.615 4.830 8.739 1.00 0.00 C ATOM 0 H LEU A 98 -6.583 5.286 6.424 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.112 5.190 4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.766 6.446 6.756 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.705 5.304 7.696 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.766 3.589 6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.636 4.564 6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.702 4.966 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.355 6.188 6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.718 4.325 9.098 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.551 5.893 8.973 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.492 4.403 9.226 1.00 0.00 H new ATOM 1502 N PHE A 99 -3.923 2.839 4.715 1.00 0.00 N ATOM 1503 CA PHE A 99 -3.852 1.394 4.471 1.00 0.00 C ATOM 1504 C PHE A 99 -2.444 1.038 4.003 1.00 0.00 C ATOM 1505 O PHE A 99 -1.817 1.781 3.256 1.00 0.00 O ATOM 1506 CB PHE A 99 -4.894 0.986 3.416 1.00 0.00 C ATOM 1507 CG PHE A 99 -4.457 1.055 1.951 1.00 0.00 C ATOM 1508 CD1 PHE A 99 -4.563 2.213 1.189 1.00 0.00 C ATOM 1509 CD2 PHE A 99 -3.916 -0.100 1.394 1.00 0.00 C ATOM 1510 CE1 PHE A 99 -4.141 2.208 -0.134 1.00 0.00 C ATOM 1511 CE2 PHE A 99 -3.481 -0.100 0.084 1.00 0.00 C ATOM 1512 CZ PHE A 99 -3.590 1.053 -0.685 1.00 0.00 C ATOM 0 H PHE A 99 -3.241 3.380 4.183 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.071 0.852 5.391 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.210 -0.035 3.628 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.770 1.623 3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.972 3.113 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.836 -0.998 1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.240 3.099 -0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.056 -0.996 -0.344 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.248 1.053 -1.709 1.00 0.00 H new ATOM 1522 N GLY A 100 -2.007 -0.137 4.434 1.00 0.00 N ATOM 1523 CA GLY A 100 -0.723 -0.665 3.973 1.00 0.00 C ATOM 1524 C GLY A 100 -0.816 -2.156 3.686 1.00 0.00 C ATOM 1525 O GLY A 100 -1.792 -2.835 4.013 1.00 0.00 O ATOM 0 H GLY A 100 -2.509 -0.736 5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.411 -0.137 3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.041 -0.484 4.729 1.00 0.00 H new ATOM 1529 N PHE A 101 0.303 -2.635 3.179 1.00 0.00 N ATOM 1530 CA PHE A 101 0.524 -4.069 2.998 1.00 0.00 C ATOM 1531 C PHE A 101 1.948 -4.479 3.378 1.00 0.00 C ATOM 1532 O PHE A 101 2.886 -3.683 3.330 1.00 0.00 O ATOM 1533 CB PHE A 101 0.165 -4.499 1.574 1.00 0.00 C ATOM 1534 CG PHE A 101 0.983 -3.813 0.499 1.00 0.00 C ATOM 1535 CD1 PHE A 101 2.301 -4.199 0.289 1.00 0.00 C ATOM 1536 CD2 PHE A 101 0.417 -2.772 -0.224 1.00 0.00 C ATOM 1537 CE1 PHE A 101 3.071 -3.533 -0.643 1.00 0.00 C ATOM 1538 CE2 PHE A 101 1.184 -2.126 -1.170 1.00 0.00 C ATOM 1539 CZ PHE A 101 2.509 -2.494 -1.383 1.00 0.00 C ATOM 0 H PHE A 101 1.084 -2.051 2.880 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.142 -4.597 3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.299 -5.577 1.486 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.891 -4.294 1.399 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.722 -5.018 0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.606 -2.473 -0.049 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.102 -3.815 -0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.752 -1.326 -1.752 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.102 -1.975 -2.121 1.00 0.00 H new ATOM 1549 N VAL A 102 2.070 -5.763 3.669 1.00 0.00 N ATOM 1550 CA VAL A 102 3.336 -6.402 4.063 1.00 0.00 C ATOM 1551 C VAL A 102 3.828 -7.224 2.862 1.00 0.00 C ATOM 1552 O VAL A 102 3.155 -8.145 2.413 1.00 0.00 O ATOM 1553 CB VAL A 102 3.127 -7.308 5.290 1.00 0.00 C ATOM 1554 CG1 VAL A 102 4.470 -7.755 5.864 1.00 0.00 C ATOM 1555 CG2 VAL A 102 2.318 -6.627 6.398 1.00 0.00 C ATOM 0 H VAL A 102 1.283 -6.412 3.641 1.00 0.00 H new ATOM 0 HA VAL A 102 4.074 -5.649 4.339 1.00 0.00 H new ATOM 0 HB VAL A 102 2.560 -8.170 4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.301 -8.394 6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.023 -8.310 5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.046 -6.880 6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.202 -7.312 7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.840 -5.730 6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.335 -6.353 6.015 1.00 0.00 H new ATOM 1565 N ALA A 103 4.985 -6.824 2.353 1.00 0.00 N ATOM 1566 CA ALA A 103 5.622 -7.483 1.199 1.00 0.00 C ATOM 1567 C ALA A 103 6.853 -8.285 1.643 1.00 0.00 C ATOM 1568 O ALA A 103 7.805 -7.730 2.195 1.00 0.00 O ATOM 1569 CB ALA A 103 5.992 -6.436 0.143 1.00 0.00 C ATOM 0 H ALA A 103 5.516 -6.035 2.721 1.00 0.00 H new ATOM 0 HA ALA A 103 4.916 -8.185 0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.463 -6.928 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.091 -5.920 -0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.686 -5.714 0.574 1.00 0.00 H new ATOM 1575 N ARG A 104 6.676 -9.600 1.583 1.00 0.00 N ATOM 1576 CA ARG A 104 7.688 -10.629 1.863 1.00 0.00 C ATOM 1577 C ARG A 104 8.246 -11.162 0.535 1.00 0.00 C ATOM 1578 O ARG A 104 7.868 -12.209 0.007 1.00 0.00 O ATOM 1579 CB ARG A 104 7.017 -11.743 2.673 1.00 0.00 C ATOM 1580 CG ARG A 104 7.971 -12.870 3.077 1.00 0.00 C ATOM 1581 CD ARG A 104 7.545 -14.180 2.410 1.00 0.00 C ATOM 1582 NE ARG A 104 7.302 -15.190 3.449 1.00 0.00 N ATOM 1583 CZ ARG A 104 8.229 -15.806 4.189 1.00 0.00 C ATOM 1584 NH1 ARG A 104 9.527 -15.589 4.012 1.00 0.00 N ATOM 1585 NH2 ARG A 104 7.854 -16.669 5.115 1.00 0.00 N ATOM 0 H ARG A 104 5.776 -10.005 1.324 1.00 0.00 H new ATOM 0 HA ARG A 104 8.520 -10.221 2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.577 -11.312 3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.199 -12.163 2.088 1.00 0.00 H new ATOM 0 HG2 ARG A 104 8.990 -12.618 2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 104 7.971 -12.987 4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 104 6.643 -14.025 1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 104 8.321 -14.523 1.725 1.00 0.00 H new ATOM 0 HE ARG A 104 6.330 -15.446 3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 104 9.842 -14.936 3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 104 10.209 -16.075 4.594 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.863 -16.861 5.261 1.00 0.00 H new ATOM 0 HH22 ARG A 104 8.555 -17.143 5.684 1.00 0.00 H new ATOM 1684 N ASP A 111 12.493 -10.927 5.895 1.00 0.00 N ATOM 1685 CA ASP A 111 12.599 -9.458 5.832 1.00 0.00 C ATOM 1686 C ASP A 111 11.493 -8.854 4.959 1.00 0.00 C ATOM 1687 O ASP A 111 11.516 -8.930 3.736 1.00 0.00 O ATOM 1688 CB ASP A 111 14.002 -9.032 5.369 1.00 0.00 C ATOM 1689 CG ASP A 111 14.463 -9.731 4.083 1.00 0.00 C ATOM 1690 OD1 ASP A 111 14.929 -10.889 4.227 1.00 0.00 O ATOM 1691 OD2 ASP A 111 14.368 -9.094 3.016 1.00 0.00 O ATOM 0 HA ASP A 111 12.454 -9.063 6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 111 14.011 -7.954 5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 111 14.717 -9.243 6.164 1.00 0.00 H new ATOM 1696 N ASN A 112 10.459 -8.441 5.673 1.00 0.00 N ATOM 1697 CA ASN A 112 9.265 -7.832 5.066 1.00 0.00 C ATOM 1698 C ASN A 112 9.307 -6.313 5.178 1.00 0.00 C ATOM 1699 O ASN A 112 9.859 -5.747 6.127 1.00 0.00 O ATOM 1700 CB ASN A 112 8.008 -8.358 5.764 1.00 0.00 C ATOM 1701 CG ASN A 112 7.749 -9.839 5.478 1.00 0.00 C ATOM 1702 OD1 ASN A 112 8.597 -10.578 5.012 1.00 0.00 O ATOM 1703 ND2 ASN A 112 6.574 -10.320 5.815 1.00 0.00 N ATOM 0 H ASN A 112 10.414 -8.514 6.689 1.00 0.00 H new ATOM 0 HA ASN A 112 9.245 -8.100 4.010 1.00 0.00 H new ATOM 0 HB2 ASN A 112 8.107 -8.212 6.840 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.147 -7.774 5.441 1.00 0.00 H new ATOM 0 HD21 ASN A 112 6.373 -11.312 5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 112 5.863 -9.702 6.206 1.00 0.00 H new ATOM 1710 N VAL A 113 8.672 -5.709 4.186 1.00 0.00 N ATOM 1711 CA VAL A 113 8.522 -4.251 4.134 1.00 0.00 C ATOM 1712 C VAL A 113 7.035 -3.869 4.097 1.00 0.00 C ATOM 1713 O VAL A 113 6.284 -4.347 3.244 1.00 0.00 O ATOM 1714 CB VAL A 113 9.385 -3.688 2.990 1.00 0.00 C ATOM 1715 CG1 VAL A 113 8.769 -3.687 1.584 1.00 0.00 C ATOM 1716 CG2 VAL A 113 9.886 -2.311 3.400 1.00 0.00 C ATOM 0 H VAL A 113 8.248 -6.202 3.400 1.00 0.00 H new ATOM 0 HA VAL A 113 8.901 -3.780 5.041 1.00 0.00 H new ATOM 0 HB VAL A 113 10.209 -4.391 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.481 -3.265 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.528 -4.709 1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 113 7.859 -3.086 1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 113 10.500 -1.895 2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.036 -1.654 3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.481 -2.396 4.309 1.00 0.00 H new ATOM 1726 N CYS A 114 6.592 -3.255 5.185 1.00 0.00 N ATOM 1727 CA CYS A 114 5.224 -2.720 5.209 1.00 0.00 C ATOM 1728 C CYS A 114 5.213 -1.321 4.597 1.00 0.00 C ATOM 1729 O CYS A 114 5.946 -0.422 5.002 1.00 0.00 O ATOM 1730 CB CYS A 114 4.633 -2.723 6.609 1.00 0.00 C ATOM 1731 SG CYS A 114 2.923 -2.089 6.690 1.00 0.00 S ATOM 0 H CYS A 114 7.132 -3.114 6.039 1.00 0.00 H new ATOM 0 HA CYS A 114 4.589 -3.373 4.610 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.652 -3.741 6.999 1.00 0.00 H new ATOM 0 HB3 CYS A 114 5.265 -2.120 7.261 1.00 0.00 H new ATOM 0 HG CYS A 114 2.940 -0.789 6.661 1.00 0.00 H new ATOM 1737 N HIS A 115 4.546 -1.282 3.459 1.00 0.00 N ATOM 1738 CA HIS A 115 4.386 -0.039 2.697 1.00 0.00 C ATOM 1739 C HIS A 115 3.059 0.601 3.091 1.00 0.00 C ATOM 1740 O HIS A 115 2.060 -0.091 3.273 1.00 0.00 O ATOM 1741 CB HIS A 115 4.368 -0.375 1.211 1.00 0.00 C ATOM 1742 CG HIS A 115 5.288 0.549 0.401 1.00 0.00 C ATOM 1743 ND1 HIS A 115 6.180 0.121 -0.476 1.00 0.00 N ATOM 1744 CD2 HIS A 115 5.336 1.875 0.435 1.00 0.00 C ATOM 1745 CE1 HIS A 115 6.806 1.187 -0.980 1.00 0.00 C ATOM 1746 NE2 HIS A 115 6.292 2.263 -0.405 1.00 0.00 N ATOM 0 H HIS A 115 4.101 -2.095 3.033 1.00 0.00 H new ATOM 0 HA HIS A 115 5.206 0.648 2.906 1.00 0.00 H new ATOM 0 HB2 HIS A 115 4.679 -1.410 1.070 1.00 0.00 H new ATOM 0 HB3 HIS A 115 3.349 -0.294 0.833 1.00 0.00 H new ATOM 0 HD2 HIS A 115 4.713 2.521 1.035 1.00 0.00 H new ATOM 0 HE1 HIS A 115 7.590 1.174 -1.723 1.00 0.00 H new ATOM 0 HE2 HIS A 115 6.580 3.226 -0.577 1.00 0.00 H new ATOM 1754 N LEU A 116 3.115 1.910 3.266 1.00 0.00 N ATOM 1755 CA LEU A 116 1.918 2.692 3.595 1.00 0.00 C ATOM 1756 C LEU A 116 1.376 3.386 2.351 1.00 0.00 C ATOM 1757 O LEU A 116 2.118 3.733 1.429 1.00 0.00 O ATOM 1758 CB LEU A 116 2.204 3.707 4.710 1.00 0.00 C ATOM 1759 CG LEU A 116 2.341 3.139 6.126 1.00 0.00 C ATOM 1760 CD1 LEU A 116 1.096 2.352 6.519 1.00 0.00 C ATOM 1761 CD2 LEU A 116 3.614 2.313 6.289 1.00 0.00 C ATOM 0 H LEU A 116 3.970 2.460 3.188 1.00 0.00 H new ATOM 0 HA LEU A 116 1.157 2.005 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.124 4.236 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.403 4.446 4.714 1.00 0.00 H new ATOM 0 HG LEU A 116 2.429 3.981 6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.218 1.959 7.528 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.226 3.008 6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.953 1.526 5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.671 1.930 7.308 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.599 1.479 5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.483 2.940 6.088 1.00 0.00 H new ATOM 1773 N PHE A 117 0.056 3.480 2.343 1.00 0.00 N ATOM 1774 CA PHE A 117 -0.719 4.087 1.254 1.00 0.00 C ATOM 1775 C PHE A 117 -2.005 4.741 1.768 1.00 0.00 C ATOM 1776 O PHE A 117 -2.678 4.261 2.679 1.00 0.00 O ATOM 1777 CB PHE A 117 -1.077 3.001 0.240 1.00 0.00 C ATOM 1778 CG PHE A 117 0.110 2.518 -0.582 1.00 0.00 C ATOM 1779 CD1 PHE A 117 0.511 3.291 -1.660 1.00 0.00 C ATOM 1780 CD2 PHE A 117 0.801 1.353 -0.264 1.00 0.00 C ATOM 1781 CE1 PHE A 117 1.592 2.921 -2.432 1.00 0.00 C ATOM 1782 CE2 PHE A 117 1.893 0.988 -1.036 1.00 0.00 C ATOM 1783 CZ PHE A 117 2.290 1.761 -2.117 1.00 0.00 C ATOM 0 H PHE A 117 -0.526 3.132 3.105 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.110 4.864 0.792 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.512 2.152 0.768 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.843 3.384 -0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.030 4.195 -1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.491 0.743 0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.894 3.527 -3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.442 0.090 -0.793 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.140 1.462 -2.713 1.00 0.00 H new ATOM 1793 N ALA A 118 -2.302 5.878 1.166 1.00 0.00 N ATOM 1794 CA ALA A 118 -3.551 6.607 1.434 1.00 0.00 C ATOM 1795 C ALA A 118 -4.412 6.648 0.176 1.00 0.00 C ATOM 1796 O ALA A 118 -3.926 6.888 -0.926 1.00 0.00 O ATOM 1797 CB ALA A 118 -3.222 8.035 1.859 1.00 0.00 C ATOM 0 H ALA A 118 -1.696 6.329 0.480 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.096 6.098 2.228 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.146 8.577 2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.612 8.014 2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.673 8.535 1.061 1.00 0.00 H new ATOM 1803 N GLU A 119 -5.679 6.292 0.331 1.00 0.00 N ATOM 1804 CA GLU A 119 -6.656 6.400 -0.775 1.00 0.00 C ATOM 1805 C GLU A 119 -6.667 7.818 -1.379 1.00 0.00 C ATOM 1806 O GLU A 119 -6.824 8.800 -0.662 1.00 0.00 O ATOM 1807 CB GLU A 119 -8.071 6.057 -0.305 1.00 0.00 C ATOM 1808 CG GLU A 119 -8.487 6.848 0.939 1.00 0.00 C ATOM 1809 CD GLU A 119 -9.968 7.218 0.932 1.00 0.00 C ATOM 1810 OE1 GLU A 119 -10.383 7.901 -0.025 1.00 0.00 O ATOM 1811 OE2 GLU A 119 -10.648 6.750 1.868 1.00 0.00 O ATOM 0 H GLU A 119 -6.066 5.926 1.201 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.344 5.685 -1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.776 6.258 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.129 4.990 -0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.268 6.259 1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.890 7.757 1.003 1.00 0.00 H new ATOM 1818 N LEU A 120 -6.477 7.902 -2.689 1.00 0.00 N ATOM 1819 CA LEU A 120 -6.517 9.210 -3.377 1.00 0.00 C ATOM 1820 C LEU A 120 -7.530 9.197 -4.533 1.00 0.00 C ATOM 1821 O LEU A 120 -7.281 9.659 -5.645 1.00 0.00 O ATOM 1822 CB LEU A 120 -5.088 9.589 -3.807 1.00 0.00 C ATOM 1823 CG LEU A 120 -4.742 11.092 -3.776 1.00 0.00 C ATOM 1824 CD1 LEU A 120 -5.462 11.918 -4.846 1.00 0.00 C ATOM 1825 CD2 LEU A 120 -4.988 11.698 -2.391 1.00 0.00 C ATOM 0 H LEU A 120 -6.296 7.104 -3.297 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.872 9.986 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.385 9.063 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.927 9.221 -4.820 1.00 0.00 H new ATOM 0 HG LEU A 120 -3.678 11.141 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -5.166 12.963 -4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -5.193 11.546 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -6.540 11.833 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.733 12.758 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.038 11.581 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.368 11.187 -1.655 1.00 0.00 H new ATOM 1837 N ASP A 121 -8.640 8.506 -4.290 1.00 0.00 N ATOM 1838 CA ASP A 121 -9.659 8.348 -5.334 1.00 0.00 C ATOM 1839 C ASP A 121 -11.035 8.736 -4.783 1.00 0.00 C ATOM 1840 O ASP A 121 -11.495 8.097 -3.833 1.00 0.00 O ATOM 1841 CB ASP A 121 -9.696 6.912 -5.876 1.00 0.00 C ATOM 1842 CG ASP A 121 -8.364 6.266 -6.286 1.00 0.00 C ATOM 1843 OD1 ASP A 121 -7.340 6.968 -6.232 1.00 0.00 O ATOM 1844 OD2 ASP A 121 -8.395 5.071 -6.651 1.00 0.00 O ATOM 0 H ASP A 121 -8.858 8.054 -3.402 1.00 0.00 H new ATOM 0 HA ASP A 121 -9.397 9.009 -6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -10.155 6.279 -5.116 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -10.356 6.898 -6.744 1.00 0.00 H new ATOM 1849 N PRO A 122 -11.727 9.661 -5.465 1.00 0.00 N ATOM 1850 CA PRO A 122 -13.094 10.071 -5.090 1.00 0.00 C ATOM 1851 C PRO A 122 -14.148 8.969 -5.306 1.00 0.00 C ATOM 1852 O PRO A 122 -15.288 9.101 -4.874 1.00 0.00 O ATOM 1853 CB PRO A 122 -13.356 11.325 -5.927 1.00 0.00 C ATOM 1854 CG PRO A 122 -12.528 11.097 -7.192 1.00 0.00 C ATOM 1855 CD PRO A 122 -11.282 10.368 -6.684 1.00 0.00 C ATOM 0 HA PRO A 122 -13.174 10.268 -4.021 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -14.415 11.439 -6.157 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -13.045 12.229 -5.403 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -13.071 10.499 -7.924 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -12.271 12.039 -7.677 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -10.901 9.670 -7.429 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -10.477 11.069 -6.463 1.00 0.00 H new ATOM 1863 N ASP A 123 -13.736 7.878 -5.954 1.00 0.00 N ATOM 1864 CA ASP A 123 -14.595 6.715 -6.242 1.00 0.00 C ATOM 1865 C ASP A 123 -13.854 5.378 -6.050 1.00 0.00 C ATOM 1866 O ASP A 123 -14.163 4.385 -6.704 1.00 0.00 O ATOM 1867 CB ASP A 123 -15.109 6.860 -7.678 1.00 0.00 C ATOM 1868 CG ASP A 123 -16.610 6.577 -7.796 1.00 0.00 C ATOM 1869 OD1 ASP A 123 -17.120 5.736 -7.021 1.00 0.00 O ATOM 1870 OD2 ASP A 123 -17.225 7.251 -8.648 1.00 0.00 O ATOM 0 H ASP A 123 -12.783 7.770 -6.301 1.00 0.00 H new ATOM 0 HA ASP A 123 -15.426 6.697 -5.537 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -14.904 7.870 -8.033 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -14.562 6.176 -8.327 1.00 0.00 H new ATOM 1875 N GLN A 124 -12.884 5.386 -5.135 1.00 0.00 N ATOM 1876 CA GLN A 124 -12.040 4.219 -4.810 1.00 0.00 C ATOM 1877 C GLN A 124 -11.280 4.431 -3.485 1.00 0.00 C ATOM 1878 O GLN A 124 -10.126 4.876 -3.469 1.00 0.00 O ATOM 1879 CB GLN A 124 -11.083 3.853 -5.955 1.00 0.00 C ATOM 1880 CG GLN A 124 -11.571 2.691 -6.818 1.00 0.00 C ATOM 1881 CD GLN A 124 -11.743 1.440 -5.960 1.00 0.00 C ATOM 1882 OE1 GLN A 124 -12.837 0.964 -5.703 1.00 0.00 O ATOM 1883 NE2 GLN A 124 -10.672 1.006 -5.338 1.00 0.00 N ATOM 0 H GLN A 124 -12.653 6.214 -4.586 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.710 3.369 -4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -10.938 4.728 -6.589 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.110 3.598 -5.535 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.518 2.951 -7.291 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -10.858 2.497 -7.619 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -9.759 1.406 -5.555 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -10.753 0.269 -4.638 1.00 0.00 H new ATOM 1892 N PRO A 125 -11.991 4.244 -2.364 1.00 0.00 N ATOM 1893 CA PRO A 125 -11.396 4.343 -1.021 1.00 0.00 C ATOM 1894 C PRO A 125 -10.432 3.184 -0.757 1.00 0.00 C ATOM 1895 O PRO A 125 -10.466 2.148 -1.420 1.00 0.00 O ATOM 1896 CB PRO A 125 -12.586 4.365 -0.057 1.00 0.00 C ATOM 1897 CG PRO A 125 -13.669 3.586 -0.798 1.00 0.00 C ATOM 1898 CD PRO A 125 -13.438 3.956 -2.265 1.00 0.00 C ATOM 0 HA PRO A 125 -10.787 5.239 -0.899 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -12.338 3.897 0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -12.905 5.384 0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -13.573 2.512 -0.635 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.667 3.871 -0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.724 3.139 -2.928 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -14.033 4.823 -2.552 1.00 0.00 H new ATOM 1906 N ALA A 126 -9.654 3.349 0.304 1.00 0.00 N ATOM 1907 CA ALA A 126 -8.633 2.369 0.712 1.00 0.00 C ATOM 1908 C ALA A 126 -9.259 1.006 1.049 1.00 0.00 C ATOM 1909 O ALA A 126 -8.831 0.004 0.495 1.00 0.00 O ATOM 1910 CB ALA A 126 -7.844 2.947 1.885 1.00 0.00 C ATOM 0 H ALA A 126 -9.706 4.165 0.913 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.951 2.185 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -7.083 2.232 2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.364 3.876 1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.521 3.145 2.716 1.00 0.00 H new ATOM 1916 N ALA A 127 -10.420 1.034 1.711 1.00 0.00 N ATOM 1917 CA ALA A 127 -11.270 -0.158 1.922 1.00 0.00 C ATOM 1918 C ALA A 127 -11.629 -0.905 0.629 1.00 0.00 C ATOM 1919 O ALA A 127 -11.292 -2.074 0.512 1.00 0.00 O ATOM 1920 CB ALA A 127 -12.535 0.224 2.695 1.00 0.00 C ATOM 0 H ALA A 127 -10.805 1.885 2.120 1.00 0.00 H new ATOM 0 HA ALA A 127 -10.675 -0.856 2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -13.152 -0.662 2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -12.258 0.640 3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -13.097 0.967 2.129 1.00 0.00 H new ATOM 1926 N ALA A 128 -12.000 -0.165 -0.413 1.00 0.00 N ATOM 1927 CA ALA A 128 -12.264 -0.738 -1.750 1.00 0.00 C ATOM 1928 C ALA A 128 -10.995 -1.283 -2.434 1.00 0.00 C ATOM 1929 O ALA A 128 -11.025 -2.352 -3.039 1.00 0.00 O ATOM 1930 CB ALA A 128 -12.957 0.301 -2.628 1.00 0.00 C ATOM 0 H ALA A 128 -12.128 0.846 -0.365 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.922 -1.596 -1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.150 -0.125 -3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.901 0.595 -2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.316 1.176 -2.731 1.00 0.00 H new ATOM 1936 N ILE A 129 -9.856 -0.646 -2.160 1.00 0.00 N ATOM 1937 CA ILE A 129 -8.519 -1.095 -2.610 1.00 0.00 C ATOM 1938 C ILE A 129 -8.044 -2.346 -1.840 1.00 0.00 C ATOM 1939 O ILE A 129 -7.391 -3.209 -2.417 1.00 0.00 O ATOM 1940 CB ILE A 129 -7.541 0.106 -2.585 1.00 0.00 C ATOM 1941 CG1 ILE A 129 -7.811 1.071 -3.754 1.00 0.00 C ATOM 1942 CG2 ILE A 129 -6.048 -0.259 -2.508 1.00 0.00 C ATOM 1943 CD1 ILE A 129 -7.578 0.489 -5.160 1.00 0.00 C ATOM 0 H ILE A 129 -9.826 0.213 -1.610 1.00 0.00 H new ATOM 0 HA ILE A 129 -8.564 -1.434 -3.645 1.00 0.00 H new ATOM 0 HB ILE A 129 -7.754 0.608 -1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -8.843 1.414 -3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -7.175 1.948 -3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -5.451 0.653 -2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -5.859 -0.829 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -5.775 -0.860 -3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.797 1.250 -5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.539 0.173 -5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -8.233 -0.369 -5.312 1.00 0.00 H new ATOM 1955 N VAL A 130 -8.478 -2.473 -0.590 1.00 0.00 N ATOM 1956 CA VAL A 130 -8.200 -3.615 0.301 1.00 0.00 C ATOM 1957 C VAL A 130 -9.182 -4.786 0.095 1.00 0.00 C ATOM 1958 O VAL A 130 -8.833 -5.943 0.309 1.00 0.00 O ATOM 1959 CB VAL A 130 -8.101 -3.061 1.731 1.00 0.00 C ATOM 1960 CG1 VAL A 130 -8.377 -4.077 2.846 1.00 0.00 C ATOM 1961 CG2 VAL A 130 -6.696 -2.478 1.913 1.00 0.00 C ATOM 0 H VAL A 130 -9.056 -1.761 -0.144 1.00 0.00 H new ATOM 0 HA VAL A 130 -7.247 -4.085 0.059 1.00 0.00 H new ATOM 0 HB VAL A 130 -8.886 -2.311 1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -8.282 -3.588 3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -9.387 -4.472 2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -7.658 -4.894 2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.597 -2.076 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -5.954 -3.262 1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.536 -1.680 1.187 1.00 0.00 H new ATOM 1971 N ASN A 131 -10.376 -4.457 -0.375 1.00 0.00 N ATOM 1972 CA ASN A 131 -11.419 -5.440 -0.702 1.00 0.00 C ATOM 1973 C ASN A 131 -11.162 -6.078 -2.074 1.00 0.00 C ATOM 1974 O ASN A 131 -11.430 -7.254 -2.280 1.00 0.00 O ATOM 1975 CB ASN A 131 -12.788 -4.758 -0.643 1.00 0.00 C ATOM 1976 CG ASN A 131 -13.917 -5.769 -0.431 1.00 0.00 C ATOM 1977 OD1 ASN A 131 -13.729 -6.937 -0.119 1.00 0.00 O ATOM 1978 ND2 ASN A 131 -15.140 -5.308 -0.536 1.00 0.00 N ATOM 0 H ASN A 131 -10.659 -3.492 -0.545 1.00 0.00 H new ATOM 0 HA ASN A 131 -11.399 -6.248 0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -12.796 -4.029 0.167 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.961 -4.209 -1.568 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -15.934 -5.923 -0.358 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -15.297 -4.334 -0.796 1.00 0.00 H new ATOM 1985 N PHE A 132 -10.531 -5.306 -2.955 1.00 0.00 N ATOM 1986 CA PHE A 132 -10.092 -5.766 -4.280 1.00 0.00 C ATOM 1987 C PHE A 132 -8.754 -6.522 -4.231 1.00 0.00 C ATOM 1988 O PHE A 132 -8.674 -7.644 -4.722 1.00 0.00 O ATOM 1989 CB PHE A 132 -10.047 -4.538 -5.197 1.00 0.00 C ATOM 1990 CG PHE A 132 -9.213 -4.738 -6.458 1.00 0.00 C ATOM 1991 CD1 PHE A 132 -9.506 -5.746 -7.372 1.00 0.00 C ATOM 1992 CD2 PHE A 132 -8.093 -3.936 -6.628 1.00 0.00 C ATOM 1993 CE1 PHE A 132 -8.682 -5.928 -8.468 1.00 0.00 C ATOM 1994 CE2 PHE A 132 -7.271 -4.129 -7.719 1.00 0.00 C ATOM 1995 CZ PHE A 132 -7.556 -5.132 -8.639 1.00 0.00 C ATOM 0 H PHE A 132 -10.305 -4.329 -2.771 1.00 0.00 H new ATOM 0 HA PHE A 132 -10.798 -6.497 -4.674 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -11.065 -4.274 -5.485 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -9.645 -3.694 -4.637 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.368 -6.380 -7.227 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -7.866 -3.163 -5.908 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -8.915 -6.693 -9.194 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -6.404 -3.500 -7.859 1.00 0.00 H new ATOM 0 HZ PHE A 132 -6.904 -5.292 -9.485 1.00 0.00 H new ATOM 2005 N VAL A 133 -7.764 -5.965 -3.531 1.00 0.00 N ATOM 2006 CA VAL A 133 -6.426 -6.586 -3.424 1.00 0.00 C ATOM 2007 C VAL A 133 -6.489 -7.974 -2.744 1.00 0.00 C ATOM 2008 O VAL A 133 -5.805 -8.905 -3.159 1.00 0.00 O ATOM 2009 CB VAL A 133 -5.445 -5.599 -2.758 1.00 0.00 C ATOM 2010 CG1 VAL A 133 -5.636 -5.439 -1.245 1.00 0.00 C ATOM 2011 CG2 VAL A 133 -3.994 -5.915 -3.130 1.00 0.00 C ATOM 0 H VAL A 133 -7.856 -5.084 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.039 -6.789 -4.423 1.00 0.00 H new ATOM 0 HB VAL A 133 -5.692 -4.620 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.906 -4.728 -0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.642 -5.072 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.496 -6.403 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.330 -5.200 -2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.745 -6.924 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -3.872 -5.846 -4.211 1.00 0.00 H new ATOM 2021 N SER A 134 -7.431 -8.087 -1.808 1.00 0.00 N ATOM 2022 CA SER A 134 -7.741 -9.339 -1.093 1.00 0.00 C ATOM 2023 C SER A 134 -8.659 -10.271 -1.904 1.00 0.00 C ATOM 2024 O SER A 134 -8.453 -11.479 -1.897 1.00 0.00 O ATOM 2025 CB SER A 134 -8.364 -9.014 0.264 1.00 0.00 C ATOM 2026 OG SER A 134 -8.027 -10.038 1.199 1.00 0.00 O ATOM 0 H SER A 134 -8.013 -7.302 -1.516 1.00 0.00 H new ATOM 0 HA SER A 134 -6.804 -9.877 -0.947 1.00 0.00 H new ATOM 0 HB2 SER A 134 -8.004 -8.049 0.620 1.00 0.00 H new ATOM 0 HB3 SER A 134 -9.447 -8.935 0.170 1.00 0.00 H new ATOM 0 HG SER A 134 -8.425 -9.829 2.070 1.00 0.00 H new ATOM 2032 N ARG A 135 -9.542 -9.699 -2.730 1.00 0.00 N ATOM 2033 CA ARG A 135 -10.395 -10.484 -3.655 1.00 0.00 C ATOM 2034 C ARG A 135 -9.622 -11.118 -4.821 1.00 0.00 C ATOM 2035 O ARG A 135 -10.067 -12.106 -5.400 1.00 0.00 O ATOM 2036 CB ARG A 135 -11.551 -9.672 -4.245 1.00 0.00 C ATOM 2037 CG ARG A 135 -12.838 -9.853 -3.438 1.00 0.00 C ATOM 2038 CD ARG A 135 -14.033 -10.064 -4.373 1.00 0.00 C ATOM 2039 NE ARG A 135 -14.153 -11.482 -4.758 1.00 0.00 N ATOM 2040 CZ ARG A 135 -14.934 -11.981 -5.723 1.00 0.00 C ATOM 2041 NH1 ARG A 135 -15.598 -11.195 -6.560 1.00 0.00 N ATOM 2042 NH2 ARG A 135 -15.011 -13.290 -5.911 1.00 0.00 N ATOM 0 H ARG A 135 -9.691 -8.691 -2.783 1.00 0.00 H new ATOM 0 HA ARG A 135 -10.790 -11.275 -3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.280 -8.616 -4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.722 -9.979 -5.277 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.737 -10.707 -2.769 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -13.008 -8.977 -2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -14.949 -9.738 -3.880 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.915 -9.449 -5.265 1.00 0.00 H new ATOM 0 HE ARG A 135 -13.584 -12.149 -4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -15.521 -10.181 -6.478 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -16.186 -11.604 -7.286 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -14.473 -13.923 -5.319 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -15.608 -13.665 -6.648 1.00 0.00 H new ATOM 2056 N VAL A 136 -8.543 -10.451 -5.229 1.00 0.00 N ATOM 2057 CA VAL A 136 -7.639 -10.929 -6.298 1.00 0.00 C ATOM 2058 C VAL A 136 -6.812 -12.137 -5.825 1.00 0.00 C ATOM 2059 O VAL A 136 -6.427 -12.988 -6.627 1.00 0.00 O ATOM 2060 CB VAL A 136 -6.747 -9.779 -6.805 1.00 0.00 C ATOM 2061 CG1 VAL A 136 -5.692 -10.219 -7.825 1.00 0.00 C ATOM 2062 CG2 VAL A 136 -7.625 -8.765 -7.524 1.00 0.00 C ATOM 0 H VAL A 136 -8.261 -9.556 -4.830 1.00 0.00 H new ATOM 0 HA VAL A 136 -8.244 -11.269 -7.138 1.00 0.00 H new ATOM 0 HB VAL A 136 -6.240 -9.380 -5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -5.103 -9.356 -8.135 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -5.036 -10.962 -7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -6.185 -10.653 -8.695 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -7.008 -7.944 -7.889 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -8.123 -9.247 -8.365 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -8.373 -8.377 -6.833 1.00 0.00 H new ATOM 2072 N MET A 137 -6.471 -12.114 -4.543 1.00 0.00 N ATOM 2073 CA MET A 137 -5.728 -13.215 -3.912 1.00 0.00 C ATOM 2074 C MET A 137 -6.701 -14.175 -3.207 1.00 0.00 C ATOM 2075 O MET A 137 -7.919 -14.006 -3.239 1.00 0.00 O ATOM 2076 CB MET A 137 -4.669 -12.637 -2.956 1.00 0.00 C ATOM 2077 CG MET A 137 -5.237 -11.934 -1.715 1.00 0.00 C ATOM 2078 SD MET A 137 -3.961 -11.319 -0.558 1.00 0.00 S ATOM 2079 CE MET A 137 -3.340 -12.848 0.111 1.00 0.00 C ATOM 0 H MET A 137 -6.695 -11.345 -3.911 1.00 0.00 H new ATOM 0 HA MET A 137 -5.204 -13.798 -4.670 1.00 0.00 H new ATOM 0 HB2 MET A 137 -4.014 -13.445 -2.631 1.00 0.00 H new ATOM 0 HB3 MET A 137 -4.051 -11.928 -3.507 1.00 0.00 H new ATOM 0 HG2 MET A 137 -5.856 -11.096 -2.036 1.00 0.00 H new ATOM 0 HG3 MET A 137 -5.890 -12.627 -1.185 1.00 0.00 H new ATOM 0 HE1 MET A 137 -2.685 -12.636 0.956 1.00 0.00 H new ATOM 0 HE2 MET A 137 -4.175 -13.465 0.445 1.00 0.00 H new ATOM 0 HE3 MET A 137 -2.780 -13.381 -0.658 1.00 0.00 H new