USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 798 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 86 MET CE :methyl -120:sc= 0 (180deg=-0.892) USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -167:sc= -3.09! (180deg=-3.4!) USER MOD Single : A 10 MET CE :methyl -158:sc= -0.755 (180deg=-2.17!) USER MOD Single : A 16 GLN : amide:sc= -0.0479 X(o=-0.048,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 20:sc= 0.957 USER MOD Single : A 22 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-2.5) USER MOD Single : A 24 THR OG1 : rot 176:sc= -0.869 USER MOD Single : A 28 THR OG1 : rot 150:sc=-0.000187 USER MOD Single : A 32 ASN : amide:sc= -0.247 K(o=-0.25,f=-4.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -4.33! C(o=-4.3!,f=-6.1!) USER MOD Single : A 38 GLN : amide:sc= -0.915 K(o=-0.91,f=-5.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -51:sc= 0.00515 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.179 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 55:sc= 0.309 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -2.64! C(o=-2.6!,f=-2.6!) USER MOD Single : A 58 THR OG1 : rot -134:sc= -0.744 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0771 X(o=-0.077,f=0) USER MOD Single : A 64 ASN : amide:sc= 0.351 K(o=0.35,f=-4!) USER MOD Single : A 66 THR OG1 : rot 57:sc= 1.28 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.926! USER MOD Single : A 69 SER OG : rot 180:sc= -0.498 USER MOD Single : A 70 TYR OH : rot 150:sc= -0.473 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -122:sc= -1.7 (180deg=-4.32!) USER MOD Single : A 78 ASN : amide:sc= 0.317 X(o=0.32,f=-0.0031) USER MOD Single : A 79 THR OG1 : rot 53:sc= 0.499 USER MOD Single : A 81 TYR OH : rot 165:sc= 0 USER MOD Single : A 84 SER OG : rot 6:sc= 0.0564 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 100:sc= 0.233 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.072 USER MOD Single : A 97 SER OG : rot -104:sc= 0.952 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= -1.06 X(o=-1.1,f=-1.4) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 178:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 80 N MET A 9 13.919 -2.663 10.330 1.00 0.00 N ATOM 81 CA MET A 9 13.256 -1.421 9.949 1.00 0.00 C ATOM 82 C MET A 9 11.753 -1.511 10.193 1.00 0.00 C ATOM 83 O MET A 9 11.117 -2.506 9.847 1.00 0.00 O ATOM 84 CB MET A 9 13.528 -1.102 8.478 1.00 0.00 C ATOM 85 CG MET A 9 15.004 -0.935 8.155 1.00 0.00 C ATOM 86 SD MET A 9 15.291 0.204 6.786 1.00 0.00 S ATOM 87 CE MET A 9 14.126 -0.421 5.577 1.00 0.00 C ATOM 0 HA MET A 9 13.659 -0.619 10.567 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.117 -1.900 7.860 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.000 -0.187 8.210 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.527 -0.572 9.040 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.430 -1.907 7.909 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.339 0.021 4.604 1.00 0.00 H new ATOM 0 HE2 MET A 9 14.217 -1.505 5.511 1.00 0.00 H new ATOM 0 HE3 MET A 9 13.112 -0.160 5.880 1.00 0.00 H new ATOM 97 N MET A 10 11.191 -0.464 10.790 1.00 0.00 N ATOM 98 CA MET A 10 9.762 -0.426 11.078 1.00 0.00 C ATOM 99 C MET A 10 8.977 0.070 9.868 1.00 0.00 C ATOM 100 O MET A 10 9.406 0.969 9.145 1.00 0.00 O ATOM 101 CB MET A 10 9.488 0.475 12.284 1.00 0.00 C ATOM 102 CG MET A 10 9.492 1.958 11.948 1.00 0.00 C ATOM 103 SD MET A 10 11.157 2.633 11.803 1.00 0.00 S ATOM 104 CE MET A 10 11.911 1.998 13.299 1.00 0.00 C ATOM 0 H MET A 10 11.703 0.368 11.083 1.00 0.00 H new ATOM 0 HA MET A 10 9.435 -1.440 11.309 1.00 0.00 H new ATOM 0 HB2 MET A 10 8.521 0.211 12.713 1.00 0.00 H new ATOM 0 HB3 MET A 10 10.240 0.282 13.050 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.957 2.116 11.011 1.00 0.00 H new ATOM 0 HG3 MET A 10 8.949 2.503 12.720 1.00 0.00 H new ATOM 0 HE1 MET A 10 12.772 2.613 13.562 1.00 0.00 H new ATOM 0 HE2 MET A 10 11.185 2.024 14.112 1.00 0.00 H new ATOM 0 HE3 MET A 10 12.236 0.971 13.135 1.00 0.00 H new ATOM 114 N PRO A 11 7.798 -0.528 9.641 1.00 0.00 N ATOM 115 CA PRO A 11 6.928 -0.162 8.519 1.00 0.00 C ATOM 116 C PRO A 11 6.305 1.219 8.695 1.00 0.00 C ATOM 117 O PRO A 11 6.388 1.833 9.759 1.00 0.00 O ATOM 118 CB PRO A 11 5.845 -1.244 8.543 1.00 0.00 C ATOM 119 CG PRO A 11 5.812 -1.716 9.955 1.00 0.00 C ATOM 120 CD PRO A 11 7.223 -1.607 10.462 1.00 0.00 C ATOM 0 HA PRO A 11 7.476 -0.109 7.578 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.879 -0.844 8.237 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.084 -2.058 7.859 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.134 -1.108 10.554 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.454 -2.744 10.014 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.251 -1.362 11.524 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.769 -2.542 10.336 1.00 0.00 H new ATOM 128 N PRO A 12 5.665 1.720 7.628 1.00 0.00 N ATOM 129 CA PRO A 12 5.014 3.033 7.641 1.00 0.00 C ATOM 130 C PRO A 12 3.769 3.055 8.521 1.00 0.00 C ATOM 131 O PRO A 12 3.379 2.034 9.087 1.00 0.00 O ATOM 132 CB PRO A 12 4.636 3.256 6.174 1.00 0.00 C ATOM 133 CG PRO A 12 4.515 1.886 5.602 1.00 0.00 C ATOM 134 CD PRO A 12 5.526 1.043 6.328 1.00 0.00 C ATOM 0 HA PRO A 12 5.664 3.806 8.050 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.699 3.806 6.086 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.397 3.837 5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.508 1.493 5.740 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.710 1.892 4.530 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.182 0.015 6.445 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.475 1.003 5.792 1.00 0.00 H new ATOM 142 N VAL A 13 3.148 4.225 8.631 1.00 0.00 N ATOM 143 CA VAL A 13 1.945 4.379 9.441 1.00 0.00 C ATOM 144 C VAL A 13 0.933 5.289 8.754 1.00 0.00 C ATOM 145 O VAL A 13 1.166 5.771 7.646 1.00 0.00 O ATOM 146 CB VAL A 13 2.275 4.954 10.831 1.00 0.00 C ATOM 147 CG1 VAL A 13 3.206 4.019 11.588 1.00 0.00 C ATOM 148 CG2 VAL A 13 2.887 6.341 10.703 1.00 0.00 C ATOM 0 H VAL A 13 3.458 5.080 8.169 1.00 0.00 H new ATOM 0 HA VAL A 13 1.514 3.385 9.560 1.00 0.00 H new ATOM 0 HB VAL A 13 1.348 5.042 11.398 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.428 4.442 12.568 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.725 3.049 11.712 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.133 3.896 11.027 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.114 6.732 11.695 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.805 6.281 10.118 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.182 7.005 10.204 1.00 0.00 H new ATOM 158 N GLY A 14 -0.194 5.522 9.421 1.00 0.00 N ATOM 159 CA GLY A 14 -1.226 6.374 8.859 1.00 0.00 C ATOM 160 C GLY A 14 -1.699 5.894 7.502 1.00 0.00 C ATOM 161 O GLY A 14 -2.074 6.697 6.647 1.00 0.00 O ATOM 0 H GLY A 14 -0.410 5.136 10.340 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.074 6.412 9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.844 7.391 8.768 1.00 0.00 H new ATOM 165 N VAL A 15 -1.681 4.580 7.301 1.00 0.00 N ATOM 166 CA VAL A 15 -2.112 3.994 6.037 1.00 0.00 C ATOM 167 C VAL A 15 -3.621 4.114 5.862 1.00 0.00 C ATOM 168 O VAL A 15 -4.391 3.480 6.582 1.00 0.00 O ATOM 169 CB VAL A 15 -1.711 2.509 5.942 1.00 0.00 C ATOM 170 CG1 VAL A 15 -2.125 1.930 4.598 1.00 0.00 C ATOM 171 CG2 VAL A 15 -0.215 2.346 6.165 1.00 0.00 C ATOM 0 H VAL A 15 -1.373 3.901 7.997 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.612 4.549 5.243 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.233 1.958 6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.834 0.881 4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.206 2.012 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.632 2.481 3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.051 1.291 6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.329 2.909 5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.048 2.721 7.154 1.00 0.00 H new ATOM 181 N GLN A 16 -4.036 4.931 4.899 1.00 0.00 N ATOM 182 CA GLN A 16 -5.455 5.134 4.629 1.00 0.00 C ATOM 183 C GLN A 16 -5.738 5.072 3.131 1.00 0.00 C ATOM 184 O GLN A 16 -4.848 5.298 2.312 1.00 0.00 O ATOM 185 CB GLN A 16 -5.915 6.479 5.192 1.00 0.00 C ATOM 186 CG GLN A 16 -7.398 6.525 5.524 1.00 0.00 C ATOM 187 CD GLN A 16 -7.932 7.940 5.618 1.00 0.00 C ATOM 188 OE1 GLN A 16 -8.412 8.366 6.669 1.00 0.00 O ATOM 189 NE2 GLN A 16 -7.850 8.679 4.517 1.00 0.00 N ATOM 0 H GLN A 16 -3.411 5.463 4.293 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.011 4.334 5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.343 6.701 6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.689 7.263 4.469 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.954 5.981 4.761 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.571 6.012 6.470 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.445 8.286 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.192 9.640 4.521 1.00 0.00 H new ATOM 198 N ALA A 17 -6.983 4.765 2.782 1.00 0.00 N ATOM 199 CA ALA A 17 -7.383 4.675 1.383 1.00 0.00 C ATOM 200 C ALA A 17 -8.472 5.692 1.058 1.00 0.00 C ATOM 201 O ALA A 17 -9.516 5.728 1.709 1.00 0.00 O ATOM 202 CB ALA A 17 -7.860 3.267 1.060 1.00 0.00 C ATOM 0 H ALA A 17 -7.732 4.575 3.448 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.513 4.902 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.156 3.214 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.053 2.558 1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.714 3.018 1.691 1.00 0.00 H new ATOM 208 N SER A 18 -8.221 6.518 0.047 1.00 0.00 N ATOM 209 CA SER A 18 -9.178 7.539 -0.362 1.00 0.00 C ATOM 210 C SER A 18 -9.852 7.157 -1.676 1.00 0.00 C ATOM 211 O SER A 18 -9.311 7.398 -2.756 1.00 0.00 O ATOM 212 CB SER A 18 -8.481 8.893 -0.507 1.00 0.00 C ATOM 213 OG SER A 18 -9.372 9.958 -0.226 1.00 0.00 O ATOM 0 H SER A 18 -7.363 6.500 -0.504 1.00 0.00 H new ATOM 0 HA SER A 18 -9.944 7.614 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.628 8.941 0.170 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.091 8.998 -1.519 1.00 0.00 H new ATOM 0 HG SER A 18 -8.902 10.812 -0.324 1.00 0.00 H new ATOM 219 N ILE A 19 -11.035 6.561 -1.576 1.00 0.00 N ATOM 220 CA ILE A 19 -11.783 6.147 -2.756 1.00 0.00 C ATOM 221 C ILE A 19 -12.143 7.345 -3.628 1.00 0.00 C ATOM 222 O ILE A 19 -12.816 8.274 -3.179 1.00 0.00 O ATOM 223 CB ILE A 19 -13.075 5.401 -2.371 1.00 0.00 C ATOM 224 CG1 ILE A 19 -12.747 4.182 -1.506 1.00 0.00 C ATOM 225 CG2 ILE A 19 -13.837 4.981 -3.619 1.00 0.00 C ATOM 226 CD1 ILE A 19 -11.838 3.184 -2.188 1.00 0.00 C ATOM 0 H ILE A 19 -11.496 6.354 -0.690 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.137 5.473 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.707 6.075 -1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.276 4.518 -0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.676 3.684 -1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.747 4.455 -3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.098 5.865 -4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.213 4.321 -4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.648 2.347 -1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.316 2.819 -3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.894 3.666 -2.442 1.00 0.00 H new ATOM 238 N LEU A 20 -11.691 7.317 -4.877 1.00 0.00 N ATOM 239 CA LEU A 20 -11.966 8.401 -5.814 1.00 0.00 C ATOM 240 C LEU A 20 -12.928 7.945 -6.907 1.00 0.00 C ATOM 241 O LEU A 20 -13.783 8.709 -7.354 1.00 0.00 O ATOM 242 CB LEU A 20 -10.664 8.902 -6.442 1.00 0.00 C ATOM 243 CG LEU A 20 -9.567 9.324 -5.464 1.00 0.00 C ATOM 244 CD1 LEU A 20 -8.265 9.590 -6.205 1.00 0.00 C ATOM 245 CD2 LEU A 20 -9.997 10.554 -4.678 1.00 0.00 C ATOM 0 H LEU A 20 -11.133 6.556 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.433 9.216 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.268 8.116 -7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.897 9.751 -7.084 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.401 8.508 -4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.496 9.889 -5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.949 8.684 -6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.417 10.388 -6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.204 10.840 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.192 11.376 -5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.904 10.328 -4.116 1.00 0.00 H new ATOM 257 N SER A 21 -12.783 6.693 -7.331 1.00 0.00 N ATOM 258 CA SER A 21 -13.638 6.135 -8.372 1.00 0.00 C ATOM 259 C SER A 21 -13.623 4.610 -8.328 1.00 0.00 C ATOM 260 O SER A 21 -13.003 4.009 -7.450 1.00 0.00 O ATOM 261 CB SER A 21 -13.184 6.622 -9.750 1.00 0.00 C ATOM 262 OG SER A 21 -13.654 7.933 -10.008 1.00 0.00 O ATOM 0 H SER A 21 -12.082 6.046 -6.970 1.00 0.00 H new ATOM 0 HA SER A 21 -14.658 6.476 -8.192 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.095 6.605 -9.805 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.552 5.943 -10.519 1.00 0.00 H new ATOM 0 HG SER A 21 -13.883 8.371 -9.162 1.00 0.00 H new ATOM 268 N HIS A 22 -14.309 3.990 -9.283 1.00 0.00 N ATOM 269 CA HIS A 22 -14.374 2.535 -9.355 1.00 0.00 C ATOM 270 C HIS A 22 -12.982 1.936 -9.531 1.00 0.00 C ATOM 271 O HIS A 22 -12.677 0.877 -8.983 1.00 0.00 O ATOM 272 CB HIS A 22 -15.278 2.100 -10.509 1.00 0.00 C ATOM 273 CG HIS A 22 -14.693 2.367 -11.862 1.00 0.00 C ATOM 274 ND1 HIS A 22 -14.255 3.612 -12.260 1.00 0.00 N ATOM 275 CD2 HIS A 22 -14.473 1.539 -12.910 1.00 0.00 C ATOM 276 CE1 HIS A 22 -13.792 3.539 -13.495 1.00 0.00 C ATOM 277 NE2 HIS A 22 -13.913 2.292 -13.913 1.00 0.00 N ATOM 0 H HIS A 22 -14.827 4.472 -10.017 1.00 0.00 H new ATOM 0 HA HIS A 22 -14.792 2.169 -8.417 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -15.485 1.034 -10.416 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.233 2.618 -10.427 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.696 0.483 -12.950 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.384 4.360 -14.066 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.636 1.945 -14.831 1.00 0.00 H new ATOM 286 N ASP A 23 -12.142 2.621 -10.300 1.00 0.00 N ATOM 287 CA ASP A 23 -10.782 2.157 -10.548 1.00 0.00 C ATOM 288 C ASP A 23 -9.764 3.223 -10.155 1.00 0.00 C ATOM 289 O ASP A 23 -8.726 3.375 -10.801 1.00 0.00 O ATOM 290 CB ASP A 23 -10.607 1.786 -12.021 1.00 0.00 C ATOM 291 CG ASP A 23 -10.264 2.986 -12.883 1.00 0.00 C ATOM 292 OD1 ASP A 23 -10.966 4.013 -12.776 1.00 0.00 O ATOM 293 OD2 ASP A 23 -9.295 2.897 -13.665 1.00 0.00 O ATOM 0 H ASP A 23 -12.379 3.499 -10.762 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.610 1.272 -9.936 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.819 1.039 -12.113 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.525 1.328 -12.389 1.00 0.00 H new ATOM 298 N THR A 24 -10.068 3.961 -9.091 1.00 0.00 N ATOM 299 CA THR A 24 -9.181 5.014 -8.613 1.00 0.00 C ATOM 300 C THR A 24 -9.160 5.066 -7.090 1.00 0.00 C ATOM 301 O THR A 24 -10.195 5.258 -6.452 1.00 0.00 O ATOM 302 CB THR A 24 -9.603 6.393 -9.156 1.00 0.00 C ATOM 303 OG1 THR A 24 -10.007 6.277 -10.525 1.00 0.00 O ATOM 304 CG2 THR A 24 -8.461 7.392 -9.042 1.00 0.00 C ATOM 0 H THR A 24 -10.922 3.848 -8.544 1.00 0.00 H new ATOM 0 HA THR A 24 -8.182 4.777 -8.980 1.00 0.00 H new ATOM 0 HB THR A 24 -10.441 6.753 -8.559 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.335 7.144 -10.844 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.782 8.358 -9.431 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.175 7.500 -7.996 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.607 7.035 -9.617 1.00 0.00 H new ATOM 312 N ILE A 25 -7.975 4.894 -6.513 1.00 0.00 N ATOM 313 CA ILE A 25 -7.820 4.923 -5.064 1.00 0.00 C ATOM 314 C ILE A 25 -6.479 5.531 -4.667 1.00 0.00 C ATOM 315 O ILE A 25 -5.444 5.214 -5.254 1.00 0.00 O ATOM 316 CB ILE A 25 -7.931 3.511 -4.458 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.290 2.893 -4.794 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.725 3.564 -2.952 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.337 1.394 -4.599 1.00 0.00 C ATOM 0 H ILE A 25 -7.109 4.733 -7.027 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.627 5.542 -4.672 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.151 2.884 -4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.055 3.356 -4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.539 3.125 -5.830 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.806 2.559 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.736 3.967 -2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.485 4.204 -2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.330 1.025 -4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.596 0.920 -5.242 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.119 1.156 -3.558 1.00 0.00 H new ATOM 331 N ARG A 26 -6.505 6.403 -3.665 1.00 0.00 N ATOM 332 CA ARG A 26 -5.291 7.056 -3.188 1.00 0.00 C ATOM 333 C ARG A 26 -4.782 6.390 -1.913 1.00 0.00 C ATOM 334 O ARG A 26 -5.526 6.231 -0.945 1.00 0.00 O ATOM 335 CB ARG A 26 -5.552 8.541 -2.932 1.00 0.00 C ATOM 336 CG ARG A 26 -4.297 9.331 -2.602 1.00 0.00 C ATOM 337 CD ARG A 26 -4.622 10.587 -1.807 1.00 0.00 C ATOM 338 NE ARG A 26 -4.821 10.301 -0.389 1.00 0.00 N ATOM 339 CZ ARG A 26 -5.101 11.232 0.516 1.00 0.00 C ATOM 340 NH1 ARG A 26 -5.214 12.502 0.153 1.00 0.00 N ATOM 341 NH2 ARG A 26 -5.269 10.893 1.788 1.00 0.00 N ATOM 0 H ARG A 26 -7.353 6.674 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.527 6.957 -3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.024 8.976 -3.813 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.261 8.640 -2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.611 8.705 -2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.785 9.605 -3.525 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.812 11.308 -1.921 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.521 11.050 -2.213 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.741 9.333 -0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.086 12.767 -0.824 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.429 13.215 0.850 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.183 9.917 2.071 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.484 11.609 2.482 1.00 0.00 H new ATOM 355 N ILE A 27 -3.510 6.004 -1.921 1.00 0.00 N ATOM 356 CA ILE A 27 -2.902 5.357 -0.765 1.00 0.00 C ATOM 357 C ILE A 27 -1.769 6.203 -0.194 1.00 0.00 C ATOM 358 O ILE A 27 -0.646 6.179 -0.697 1.00 0.00 O ATOM 359 CB ILE A 27 -2.355 3.963 -1.124 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.461 3.098 -1.734 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.769 3.290 0.109 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.504 2.656 -0.731 1.00 0.00 C ATOM 0 H ILE A 27 -2.881 6.128 -2.715 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.686 5.250 -0.015 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.562 4.080 -1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.950 3.657 -2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.011 2.217 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.387 2.306 -0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.956 3.899 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.544 3.182 0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.256 2.047 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.028 2.070 0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.981 3.532 -0.292 1.00 0.00 H new ATOM 374 N THR A 28 -2.072 6.952 0.862 1.00 0.00 N ATOM 375 CA THR A 28 -1.080 7.806 1.503 1.00 0.00 C ATOM 376 C THR A 28 -0.650 7.235 2.849 1.00 0.00 C ATOM 377 O THR A 28 -1.470 6.703 3.598 1.00 0.00 O ATOM 378 CB THR A 28 -1.619 9.234 1.712 1.00 0.00 C ATOM 379 OG1 THR A 28 -2.940 9.183 2.261 1.00 0.00 O ATOM 380 CG2 THR A 28 -1.638 10.003 0.399 1.00 0.00 C ATOM 0 H THR A 28 -2.997 6.984 1.291 1.00 0.00 H new ATOM 0 HA THR A 28 -0.218 7.845 0.836 1.00 0.00 H new ATOM 0 HB THR A 28 -0.957 9.751 2.407 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.093 9.974 2.818 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.022 11.008 0.572 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.626 10.065 -0.001 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.279 9.487 -0.316 1.00 0.00 H new ATOM 388 N TRP A 29 0.638 7.349 3.151 1.00 0.00 N ATOM 389 CA TRP A 29 1.176 6.844 4.409 1.00 0.00 C ATOM 390 C TRP A 29 2.303 7.736 4.916 1.00 0.00 C ATOM 391 O TRP A 29 2.731 8.662 4.228 1.00 0.00 O ATOM 392 CB TRP A 29 1.682 5.412 4.233 1.00 0.00 C ATOM 393 CG TRP A 29 2.787 5.292 3.227 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.119 5.495 3.446 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.653 4.943 1.845 1.00 0.00 C ATOM 396 NE1 TRP A 29 4.823 5.294 2.282 1.00 0.00 N ATOM 397 CE2 TRP A 29 3.946 4.953 1.286 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.568 4.621 1.025 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.180 4.655 -0.054 1.00 0.00 C ATOM 400 CZ3 TRP A 29 1.802 4.326 -0.304 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.099 4.344 -0.833 1.00 0.00 C ATOM 0 H TRP A 29 1.329 7.787 2.542 1.00 0.00 H new ATOM 0 HA TRP A 29 0.374 6.850 5.147 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.033 5.038 5.194 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.851 4.776 3.927 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.556 5.773 4.394 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.834 5.384 2.177 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.564 4.603 1.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.179 4.669 -0.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.970 4.077 -0.947 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.249 4.108 -1.876 1.00 0.00 H new ATOM 412 N ALA A 30 2.781 7.451 6.123 1.00 0.00 N ATOM 413 CA ALA A 30 3.861 8.226 6.721 1.00 0.00 C ATOM 414 C ALA A 30 4.998 7.320 7.179 1.00 0.00 C ATOM 415 O ALA A 30 4.765 6.226 7.693 1.00 0.00 O ATOM 416 CB ALA A 30 3.336 9.050 7.888 1.00 0.00 C ATOM 0 H ALA A 30 2.437 6.688 6.706 1.00 0.00 H new ATOM 0 HA ALA A 30 4.254 8.902 5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.153 9.624 8.325 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.563 9.732 7.533 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.915 8.385 8.642 1.00 0.00 H new ATOM 422 N ASP A 31 6.229 7.783 6.991 1.00 0.00 N ATOM 423 CA ASP A 31 7.404 7.014 7.386 1.00 0.00 C ATOM 424 C ASP A 31 8.109 7.669 8.569 1.00 0.00 C ATOM 425 O ASP A 31 9.042 8.452 8.392 1.00 0.00 O ATOM 426 CB ASP A 31 8.372 6.881 6.209 1.00 0.00 C ATOM 427 CG ASP A 31 9.745 6.404 6.640 1.00 0.00 C ATOM 428 OD1 ASP A 31 9.831 5.682 7.655 1.00 0.00 O ATOM 429 OD2 ASP A 31 10.733 6.753 5.961 1.00 0.00 O ATOM 0 H ASP A 31 6.439 8.687 6.568 1.00 0.00 H new ATOM 0 HA ASP A 31 7.073 6.020 7.688 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.960 6.183 5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.466 7.845 5.709 1.00 0.00 H new ATOM 434 N ASN A 32 7.657 7.343 9.775 1.00 0.00 N ATOM 435 CA ASN A 32 8.243 7.901 10.988 1.00 0.00 C ATOM 436 C ASN A 32 9.766 7.815 10.946 1.00 0.00 C ATOM 437 O ASN A 32 10.462 8.682 11.474 1.00 0.00 O ATOM 438 CB ASN A 32 7.714 7.166 12.221 1.00 0.00 C ATOM 439 CG ASN A 32 7.797 5.659 12.075 1.00 0.00 C ATOM 440 OD1 ASN A 32 8.885 5.082 12.082 1.00 0.00 O ATOM 441 ND2 ASN A 32 6.644 5.013 11.941 1.00 0.00 N ATOM 0 H ASN A 32 6.886 6.695 9.939 1.00 0.00 H new ATOM 0 HA ASN A 32 7.957 8.951 11.049 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.284 7.475 13.097 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.678 7.455 12.396 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.637 3.998 11.838 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.766 5.532 11.941 1.00 0.00 H new ATOM 448 N SER A 33 10.276 6.763 10.312 1.00 0.00 N ATOM 449 CA SER A 33 11.716 6.561 10.203 1.00 0.00 C ATOM 450 C SER A 33 12.417 7.855 9.801 1.00 0.00 C ATOM 451 O SER A 33 13.417 8.247 10.404 1.00 0.00 O ATOM 452 CB SER A 33 12.022 5.464 9.182 1.00 0.00 C ATOM 453 OG SER A 33 13.258 4.832 9.469 1.00 0.00 O ATOM 0 H SER A 33 9.713 6.038 9.866 1.00 0.00 H new ATOM 0 HA SER A 33 12.090 6.254 11.180 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.222 4.724 9.187 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.053 5.893 8.180 1.00 0.00 H new ATOM 0 HG SER A 33 13.431 4.134 8.804 1.00 0.00 H new ATOM 459 N LEU A 34 11.885 8.515 8.777 1.00 0.00 N ATOM 460 CA LEU A 34 12.459 9.766 8.293 1.00 0.00 C ATOM 461 C LEU A 34 12.985 10.608 9.450 1.00 0.00 C ATOM 462 O LEU A 34 12.521 10.506 10.586 1.00 0.00 O ATOM 463 CB LEU A 34 11.413 10.557 7.505 1.00 0.00 C ATOM 464 CG LEU A 34 11.121 10.059 6.089 1.00 0.00 C ATOM 465 CD1 LEU A 34 9.727 10.482 5.652 1.00 0.00 C ATOM 466 CD2 LEU A 34 12.168 10.578 5.114 1.00 0.00 C ATOM 0 H LEU A 34 11.058 8.205 8.267 1.00 0.00 H new ATOM 0 HA LEU A 34 13.295 9.524 7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.481 10.551 8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.742 11.594 7.443 1.00 0.00 H new ATOM 0 HG LEU A 34 11.164 8.970 6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.536 10.119 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.988 10.061 6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.656 11.570 5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.944 10.213 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.157 11.668 5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.154 10.225 5.417 1.00 0.00 H new ATOM 478 N PRO A 35 13.977 11.463 9.157 1.00 0.00 N ATOM 479 CA PRO A 35 14.586 12.342 10.160 1.00 0.00 C ATOM 480 C PRO A 35 13.638 13.445 10.616 1.00 0.00 C ATOM 481 O PRO A 35 12.472 13.479 10.222 1.00 0.00 O ATOM 482 CB PRO A 35 15.788 12.939 9.424 1.00 0.00 C ATOM 483 CG PRO A 35 15.420 12.873 7.982 1.00 0.00 C ATOM 484 CD PRO A 35 14.579 11.637 7.825 1.00 0.00 C ATOM 0 HA PRO A 35 14.851 11.802 11.069 1.00 0.00 H new ATOM 0 HB2 PRO A 35 15.975 13.966 9.738 1.00 0.00 H new ATOM 0 HB3 PRO A 35 16.697 12.373 9.627 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.867 13.762 7.679 1.00 0.00 H new ATOM 0 HG3 PRO A 35 16.310 12.822 7.354 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.819 11.763 7.054 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.182 10.774 7.540 1.00 0.00 H new ATOM 492 N LYS A 36 14.146 14.348 11.449 1.00 0.00 N ATOM 493 CA LYS A 36 13.345 15.455 11.958 1.00 0.00 C ATOM 494 C LYS A 36 12.545 16.109 10.836 1.00 0.00 C ATOM 495 O LYS A 36 11.498 16.711 11.077 1.00 0.00 O ATOM 496 CB LYS A 36 14.244 16.495 12.631 1.00 0.00 C ATOM 497 CG LYS A 36 15.036 17.340 11.648 1.00 0.00 C ATOM 498 CD LYS A 36 16.392 16.723 11.348 1.00 0.00 C ATOM 499 CE LYS A 36 17.223 17.618 10.442 1.00 0.00 C ATOM 500 NZ LYS A 36 17.854 18.737 11.194 1.00 0.00 N ATOM 0 H LYS A 36 15.109 14.335 11.786 1.00 0.00 H new ATOM 0 HA LYS A 36 12.646 15.057 12.694 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.629 17.150 13.248 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.937 15.985 13.300 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.471 17.448 10.722 1.00 0.00 H new ATOM 0 HG3 LYS A 36 15.173 18.341 12.056 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.928 16.549 12.281 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.254 15.751 10.874 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.998 17.024 9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.590 18.023 9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.411 19.324 10.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.114 19.319 11.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.478 18.351 11.931 1.00 0.00 H new ATOM 514 N HIS A 37 13.043 15.986 9.610 1.00 0.00 N ATOM 515 CA HIS A 37 12.373 16.563 8.451 1.00 0.00 C ATOM 516 C HIS A 37 12.054 15.488 7.416 1.00 0.00 C ATOM 517 O HIS A 37 12.957 14.882 6.840 1.00 0.00 O ATOM 518 CB HIS A 37 13.243 17.651 7.821 1.00 0.00 C ATOM 519 CG HIS A 37 14.298 17.117 6.902 1.00 0.00 C ATOM 520 ND1 HIS A 37 15.271 16.228 7.309 1.00 0.00 N ATOM 521 CD2 HIS A 37 14.528 17.349 5.588 1.00 0.00 C ATOM 522 CE1 HIS A 37 16.055 15.939 6.285 1.00 0.00 C ATOM 523 NE2 HIS A 37 15.625 16.605 5.229 1.00 0.00 N ATOM 0 H HIS A 37 13.909 15.492 9.394 1.00 0.00 H new ATOM 0 HA HIS A 37 11.436 17.007 8.788 1.00 0.00 H new ATOM 0 HB2 HIS A 37 12.605 18.339 7.267 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.721 18.227 8.614 1.00 0.00 H new ATOM 0 HD2 HIS A 37 13.955 17.998 4.942 1.00 0.00 H new ATOM 0 HE1 HIS A 37 16.904 15.271 6.308 1.00 0.00 H new ATOM 0 HE2 HIS A 37 16.040 16.572 4.298 1.00 0.00 H new ATOM 532 N GLN A 38 10.765 15.258 7.187 1.00 0.00 N ATOM 533 CA GLN A 38 10.328 14.255 6.223 1.00 0.00 C ATOM 534 C GLN A 38 10.841 14.584 4.825 1.00 0.00 C ATOM 535 O GLN A 38 10.205 15.328 4.078 1.00 0.00 O ATOM 536 CB GLN A 38 8.802 14.160 6.210 1.00 0.00 C ATOM 537 CG GLN A 38 8.192 13.974 7.590 1.00 0.00 C ATOM 538 CD GLN A 38 8.910 12.918 8.408 1.00 0.00 C ATOM 539 OE1 GLN A 38 10.061 13.100 8.805 1.00 0.00 O ATOM 540 NE2 GLN A 38 8.232 11.805 8.664 1.00 0.00 N ATOM 0 H GLN A 38 10.006 15.752 7.655 1.00 0.00 H new ATOM 0 HA GLN A 38 10.742 13.293 6.525 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.394 15.065 5.761 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.504 13.326 5.575 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.218 14.923 8.126 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.143 13.696 7.485 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.280 11.696 8.315 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.664 11.059 9.209 1.00 0.00 H new ATOM 549 N LYS A 39 11.995 14.026 4.477 1.00 0.00 N ATOM 550 CA LYS A 39 12.594 14.259 3.168 1.00 0.00 C ATOM 551 C LYS A 39 13.264 12.993 2.643 1.00 0.00 C ATOM 552 O LYS A 39 14.337 12.608 3.109 1.00 0.00 O ATOM 553 CB LYS A 39 13.617 15.394 3.247 1.00 0.00 C ATOM 554 CG LYS A 39 13.863 16.086 1.917 1.00 0.00 C ATOM 555 CD LYS A 39 12.663 16.916 1.491 1.00 0.00 C ATOM 556 CE LYS A 39 12.742 18.332 2.040 1.00 0.00 C ATOM 557 NZ LYS A 39 11.434 19.037 1.946 1.00 0.00 N ATOM 0 H LYS A 39 12.535 13.409 5.084 1.00 0.00 H new ATOM 0 HA LYS A 39 11.799 14.542 2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.273 16.131 3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.561 14.996 3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.741 16.727 1.996 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.081 15.340 1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.610 16.949 0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.747 16.440 1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.064 18.300 3.081 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.497 18.893 1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.530 19.999 2.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.139 19.090 0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.719 18.516 2.492 1.00 0.00 H new ATOM 571 N ILE A 40 12.625 12.350 1.671 1.00 0.00 N ATOM 572 CA ILE A 40 13.161 11.129 1.082 1.00 0.00 C ATOM 573 C ILE A 40 14.395 11.423 0.235 1.00 0.00 C ATOM 574 O ILE A 40 14.311 12.098 -0.792 1.00 0.00 O ATOM 575 CB ILE A 40 12.111 10.417 0.209 1.00 0.00 C ATOM 576 CG1 ILE A 40 10.800 10.254 0.981 1.00 0.00 C ATOM 577 CG2 ILE A 40 12.633 9.064 -0.250 1.00 0.00 C ATOM 578 CD1 ILE A 40 9.749 9.469 0.229 1.00 0.00 C ATOM 0 H ILE A 40 11.736 12.654 1.275 1.00 0.00 H new ATOM 0 HA ILE A 40 13.438 10.475 1.909 1.00 0.00 H new ATOM 0 HB ILE A 40 11.918 11.028 -0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.005 9.756 1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.403 11.241 1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.879 8.573 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.543 9.204 -0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.851 8.444 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.847 9.393 0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.515 9.978 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.126 8.469 0.014 1.00 0.00 H new ATOM 590 N THR A 41 15.541 10.911 0.671 1.00 0.00 N ATOM 591 CA THR A 41 16.793 11.117 -0.046 1.00 0.00 C ATOM 592 C THR A 41 16.959 10.097 -1.167 1.00 0.00 C ATOM 593 O THR A 41 18.072 9.668 -1.469 1.00 0.00 O ATOM 594 CB THR A 41 18.005 11.025 0.900 1.00 0.00 C ATOM 595 OG1 THR A 41 18.099 9.705 1.448 1.00 0.00 O ATOM 596 CG2 THR A 41 17.890 12.041 2.027 1.00 0.00 C ATOM 0 H THR A 41 15.628 10.350 1.518 1.00 0.00 H new ATOM 0 HA THR A 41 16.751 12.119 -0.473 1.00 0.00 H new ATOM 0 HB THR A 41 18.905 11.244 0.325 1.00 0.00 H new ATOM 0 HG1 THR A 41 18.873 9.654 2.047 1.00 0.00 H new ATOM 0 HG21 THR A 41 18.757 11.957 2.682 1.00 0.00 H new ATOM 0 HG22 THR A 41 17.848 13.046 1.608 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.983 11.848 2.599 1.00 0.00 H new ATOM 604 N ASP A 42 15.845 9.713 -1.781 1.00 0.00 N ATOM 605 CA ASP A 42 15.867 8.745 -2.870 1.00 0.00 C ATOM 606 C ASP A 42 16.960 7.703 -2.649 1.00 0.00 C ATOM 607 O ASP A 42 17.810 7.488 -3.513 1.00 0.00 O ATOM 608 CB ASP A 42 16.085 9.454 -4.208 1.00 0.00 C ATOM 609 CG ASP A 42 15.033 10.512 -4.480 1.00 0.00 C ATOM 610 OD1 ASP A 42 13.928 10.412 -3.906 1.00 0.00 O ATOM 611 OD2 ASP A 42 15.315 11.440 -5.266 1.00 0.00 O ATOM 0 H ASP A 42 14.915 10.058 -1.542 1.00 0.00 H new ATOM 0 HA ASP A 42 14.903 8.237 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 42 17.072 9.917 -4.214 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.073 8.718 -5.012 1.00 0.00 H new ATOM 616 N SER A 43 16.932 7.061 -1.486 1.00 0.00 N ATOM 617 CA SER A 43 17.923 6.046 -1.149 1.00 0.00 C ATOM 618 C SER A 43 17.246 4.745 -0.728 1.00 0.00 C ATOM 619 O SER A 43 17.880 3.860 -0.153 1.00 0.00 O ATOM 620 CB SER A 43 18.834 6.545 -0.026 1.00 0.00 C ATOM 621 OG SER A 43 20.102 5.914 -0.079 1.00 0.00 O ATOM 0 H SER A 43 16.234 7.226 -0.761 1.00 0.00 H new ATOM 0 HA SER A 43 18.525 5.853 -2.037 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.958 7.625 -0.107 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.367 6.349 0.939 1.00 0.00 H new ATOM 0 HG SER A 43 19.982 4.943 -0.127 1.00 0.00 H new ATOM 627 N ARG A 44 15.954 4.636 -1.020 1.00 0.00 N ATOM 628 CA ARG A 44 15.189 3.444 -0.672 1.00 0.00 C ATOM 629 C ARG A 44 14.094 3.181 -1.701 1.00 0.00 C ATOM 630 O ARG A 44 13.850 4.001 -2.586 1.00 0.00 O ATOM 631 CB ARG A 44 14.571 3.598 0.719 1.00 0.00 C ATOM 632 CG ARG A 44 13.983 4.976 0.976 1.00 0.00 C ATOM 633 CD ARG A 44 13.460 5.102 2.398 1.00 0.00 C ATOM 634 NE ARG A 44 13.529 6.477 2.886 1.00 0.00 N ATOM 635 CZ ARG A 44 13.361 6.814 4.160 1.00 0.00 C ATOM 636 NH1 ARG A 44 13.118 5.881 5.069 1.00 0.00 N ATOM 637 NH2 ARG A 44 13.438 8.087 4.526 1.00 0.00 N ATOM 0 H ARG A 44 15.415 5.359 -1.497 1.00 0.00 H new ATOM 0 HA ARG A 44 15.870 2.593 -0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 44 13.789 2.849 0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.333 3.392 1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.744 5.736 0.798 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.173 5.164 0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.427 4.755 2.437 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.039 4.454 3.056 1.00 0.00 H new ATOM 0 HE ARG A 44 13.716 7.219 2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.060 4.901 4.791 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.989 6.143 6.046 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.626 8.808 3.829 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.309 8.345 5.504 1.00 0.00 H new ATOM 651 N TYR A 45 13.439 2.032 -1.579 1.00 0.00 N ATOM 652 CA TYR A 45 12.372 1.659 -2.500 1.00 0.00 C ATOM 653 C TYR A 45 11.209 1.012 -1.754 1.00 0.00 C ATOM 654 O TYR A 45 11.391 0.036 -1.025 1.00 0.00 O ATOM 655 CB TYR A 45 12.904 0.701 -3.567 1.00 0.00 C ATOM 656 CG TYR A 45 12.856 -0.753 -3.154 1.00 0.00 C ATOM 657 CD1 TYR A 45 13.880 -1.316 -2.402 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.788 -1.564 -3.517 1.00 0.00 C ATOM 659 CE1 TYR A 45 13.841 -2.643 -2.023 1.00 0.00 C ATOM 660 CE2 TYR A 45 11.740 -2.893 -3.141 1.00 0.00 C ATOM 661 CZ TYR A 45 12.769 -3.428 -2.394 1.00 0.00 C ATOM 662 OH TYR A 45 12.726 -4.751 -2.019 1.00 0.00 O ATOM 0 H TYR A 45 13.628 1.343 -0.851 1.00 0.00 H new ATOM 0 HA TYR A 45 12.010 2.566 -2.983 1.00 0.00 H new ATOM 0 HB2 TYR A 45 12.324 0.830 -4.481 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.934 0.969 -3.803 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.721 -0.705 -2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.981 -1.149 -4.103 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.646 -3.064 -1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.902 -3.509 -3.430 1.00 0.00 H new ATOM 0 HH TYR A 45 11.904 -5.161 -2.360 1.00 0.00 H new ATOM 672 N TYR A 46 10.015 1.562 -1.942 1.00 0.00 N ATOM 673 CA TYR A 46 8.822 1.041 -1.286 1.00 0.00 C ATOM 674 C TYR A 46 8.128 0.003 -2.162 1.00 0.00 C ATOM 675 O TYR A 46 8.224 0.043 -3.389 1.00 0.00 O ATOM 676 CB TYR A 46 7.854 2.181 -0.962 1.00 0.00 C ATOM 677 CG TYR A 46 8.217 2.945 0.291 1.00 0.00 C ATOM 678 CD1 TYR A 46 7.868 2.464 1.547 1.00 0.00 C ATOM 679 CD2 TYR A 46 8.907 4.149 0.219 1.00 0.00 C ATOM 680 CE1 TYR A 46 8.197 3.160 2.695 1.00 0.00 C ATOM 681 CE2 TYR A 46 9.241 4.851 1.361 1.00 0.00 C ATOM 682 CZ TYR A 46 8.884 4.352 2.597 1.00 0.00 C ATOM 683 OH TYR A 46 9.213 5.049 3.737 1.00 0.00 O ATOM 0 H TYR A 46 9.847 2.369 -2.543 1.00 0.00 H new ATOM 0 HA TYR A 46 9.129 0.559 -0.358 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.826 2.873 -1.804 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.849 1.773 -0.851 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.331 1.531 1.628 1.00 0.00 H new ATOM 0 HD2 TYR A 46 9.187 4.543 -0.747 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.918 2.773 3.664 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.778 5.785 1.287 1.00 0.00 H new ATOM 0 HH TYR A 46 9.696 5.866 3.493 1.00 0.00 H new ATOM 693 N THR A 47 7.426 -0.928 -1.523 1.00 0.00 N ATOM 694 CA THR A 47 6.715 -1.978 -2.241 1.00 0.00 C ATOM 695 C THR A 47 5.283 -2.115 -1.739 1.00 0.00 C ATOM 696 O THR A 47 5.046 -2.594 -0.631 1.00 0.00 O ATOM 697 CB THR A 47 7.428 -3.336 -2.102 1.00 0.00 C ATOM 698 OG1 THR A 47 8.828 -3.184 -2.365 1.00 0.00 O ATOM 699 CG2 THR A 47 6.836 -4.359 -3.058 1.00 0.00 C ATOM 0 H THR A 47 7.335 -0.976 -0.508 1.00 0.00 H new ATOM 0 HA THR A 47 6.702 -1.689 -3.292 1.00 0.00 H new ATOM 0 HB THR A 47 7.287 -3.692 -1.081 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.274 -4.052 -2.273 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.356 -5.310 -2.941 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.778 -4.495 -2.836 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.949 -4.007 -4.083 1.00 0.00 H new ATOM 707 N VAL A 48 4.329 -1.691 -2.563 1.00 0.00 N ATOM 708 CA VAL A 48 2.918 -1.769 -2.203 1.00 0.00 C ATOM 709 C VAL A 48 2.252 -2.980 -2.846 1.00 0.00 C ATOM 710 O VAL A 48 2.259 -3.129 -4.068 1.00 0.00 O ATOM 711 CB VAL A 48 2.160 -0.496 -2.625 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.689 -0.603 -2.255 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.790 0.734 -1.989 1.00 0.00 C ATOM 0 H VAL A 48 4.508 -1.290 -3.484 1.00 0.00 H new ATOM 0 HA VAL A 48 2.874 -1.867 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 48 2.231 -0.394 -3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.170 0.305 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.248 -1.461 -2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.593 -0.730 -1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.242 1.624 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.751 0.642 -0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.828 0.818 -2.309 1.00 0.00 H new ATOM 723 N ARG A 49 1.678 -3.843 -2.015 1.00 0.00 N ATOM 724 CA ARG A 49 1.008 -5.043 -2.503 1.00 0.00 C ATOM 725 C ARG A 49 -0.508 -4.903 -2.390 1.00 0.00 C ATOM 726 O ARG A 49 -1.011 -4.150 -1.557 1.00 0.00 O ATOM 727 CB ARG A 49 1.478 -6.270 -1.719 1.00 0.00 C ATOM 728 CG ARG A 49 1.141 -6.212 -0.238 1.00 0.00 C ATOM 729 CD ARG A 49 1.551 -7.490 0.477 1.00 0.00 C ATOM 730 NE ARG A 49 0.852 -7.653 1.749 1.00 0.00 N ATOM 731 CZ ARG A 49 0.908 -8.761 2.481 1.00 0.00 C ATOM 732 NH1 ARG A 49 1.627 -9.796 2.069 1.00 0.00 N ATOM 733 NH2 ARG A 49 0.245 -8.833 3.628 1.00 0.00 N ATOM 0 H ARG A 49 1.663 -3.734 -1.001 1.00 0.00 H new ATOM 0 HA ARG A 49 1.266 -5.171 -3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.025 -7.162 -2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.557 -6.373 -1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.646 -5.361 0.218 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.070 -6.052 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.343 -8.347 -0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.627 -7.478 0.653 1.00 0.00 H new ATOM 0 HE ARG A 49 0.291 -6.875 2.094 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.139 -9.743 1.188 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.668 -10.645 2.633 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.308 -8.038 3.948 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.288 -9.683 4.189 1.00 0.00 H new ATOM 747 N TRP A 50 -1.228 -5.633 -3.234 1.00 0.00 N ATOM 748 CA TRP A 50 -2.686 -5.590 -3.229 1.00 0.00 C ATOM 749 C TRP A 50 -3.270 -6.853 -3.852 1.00 0.00 C ATOM 750 O TRP A 50 -2.628 -7.506 -4.675 1.00 0.00 O ATOM 751 CB TRP A 50 -3.183 -4.357 -3.984 1.00 0.00 C ATOM 752 CG TRP A 50 -2.897 -4.406 -5.455 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.773 -4.731 -6.450 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.647 -4.123 -6.094 1.00 0.00 C ATOM 755 NE1 TRP A 50 -3.145 -4.667 -7.670 1.00 0.00 N ATOM 756 CE2 TRP A 50 -1.840 -4.295 -7.479 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.386 -3.738 -5.633 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -0.817 -4.097 -8.403 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.628 -3.542 -6.551 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.408 -3.721 -7.923 1.00 0.00 C ATOM 0 H TRP A 50 -0.827 -6.261 -3.930 1.00 0.00 H new ATOM 0 HA TRP A 50 -3.019 -5.531 -2.193 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.258 -4.256 -3.833 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.717 -3.468 -3.560 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.808 -4.999 -6.300 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.579 -4.864 -8.572 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.207 -3.596 -4.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.985 -4.235 -9.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.607 -3.246 -6.205 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.221 -3.559 -8.615 1.00 0.00 H new ATOM 771 N LYS A 51 -4.492 -7.193 -3.456 1.00 0.00 N ATOM 772 CA LYS A 51 -5.164 -8.378 -3.976 1.00 0.00 C ATOM 773 C LYS A 51 -6.667 -8.303 -3.730 1.00 0.00 C ATOM 774 O LYS A 51 -7.128 -7.566 -2.857 1.00 0.00 O ATOM 775 CB LYS A 51 -4.592 -9.640 -3.328 1.00 0.00 C ATOM 776 CG LYS A 51 -5.123 -9.899 -1.928 1.00 0.00 C ATOM 777 CD LYS A 51 -4.464 -11.115 -1.298 1.00 0.00 C ATOM 778 CE LYS A 51 -5.229 -12.390 -1.617 1.00 0.00 C ATOM 779 NZ LYS A 51 -4.676 -13.565 -0.888 1.00 0.00 N ATOM 0 H LYS A 51 -5.038 -6.664 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.992 -8.420 -5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.822 -10.498 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.506 -9.557 -3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.946 -9.024 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.202 -10.049 -1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.440 -11.204 -1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.410 -10.982 -0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.278 -12.260 -1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.191 -12.578 -2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.224 -14.414 -1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.682 -13.705 -1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.735 -13.397 0.137 1.00 0.00 H new ATOM 793 N THR A 52 -7.428 -9.071 -4.503 1.00 0.00 N ATOM 794 CA THR A 52 -8.879 -9.092 -4.368 1.00 0.00 C ATOM 795 C THR A 52 -9.350 -10.369 -3.682 1.00 0.00 C ATOM 796 O THR A 52 -8.680 -11.400 -3.742 1.00 0.00 O ATOM 797 CB THR A 52 -9.573 -8.974 -5.739 1.00 0.00 C ATOM 798 OG1 THR A 52 -10.976 -9.222 -5.601 1.00 0.00 O ATOM 799 CG2 THR A 52 -8.974 -9.956 -6.734 1.00 0.00 C ATOM 0 H THR A 52 -7.063 -9.687 -5.230 1.00 0.00 H new ATOM 0 HA THR A 52 -9.151 -8.232 -3.755 1.00 0.00 H new ATOM 0 HB THR A 52 -9.419 -7.962 -6.114 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.350 -8.618 -4.926 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.479 -9.855 -7.694 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.912 -9.745 -6.859 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.101 -10.973 -6.363 1.00 0.00 H new ATOM 807 N ASN A 53 -10.505 -10.294 -3.030 1.00 0.00 N ATOM 808 CA ASN A 53 -11.065 -11.446 -2.332 1.00 0.00 C ATOM 809 C ASN A 53 -11.835 -12.344 -3.295 1.00 0.00 C ATOM 810 O ASN A 53 -12.428 -13.344 -2.888 1.00 0.00 O ATOM 811 CB ASN A 53 -11.986 -10.984 -1.201 1.00 0.00 C ATOM 812 CG ASN A 53 -11.246 -10.805 0.111 1.00 0.00 C ATOM 813 OD1 ASN A 53 -10.277 -10.049 0.190 1.00 0.00 O ATOM 814 ND2 ASN A 53 -11.700 -11.500 1.147 1.00 0.00 N ATOM 0 H ASN A 53 -11.072 -9.448 -2.970 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.240 -12.020 -1.909 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.456 -10.041 -1.481 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.786 -11.712 -1.067 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.242 -11.420 2.055 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.506 -12.114 1.035 1.00 0.00 H new ATOM 821 N ILE A 54 -11.822 -11.981 -4.573 1.00 0.00 N ATOM 822 CA ILE A 54 -12.517 -12.755 -5.594 1.00 0.00 C ATOM 823 C ILE A 54 -11.603 -13.047 -6.780 1.00 0.00 C ATOM 824 O ILE A 54 -11.088 -12.142 -7.436 1.00 0.00 O ATOM 825 CB ILE A 54 -13.774 -12.021 -6.098 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.708 -11.703 -4.929 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.492 -12.860 -7.145 1.00 0.00 C ATOM 828 CD1 ILE A 54 -15.287 -12.933 -4.266 1.00 0.00 C ATOM 0 H ILE A 54 -11.338 -11.156 -4.926 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.816 -13.694 -5.129 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.469 -11.082 -6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.162 -11.123 -4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -15.524 -11.075 -5.287 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.378 -12.329 -7.492 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.824 -13.040 -7.987 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.789 -13.813 -6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -15.939 -12.632 -3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.862 -13.503 -4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -14.478 -13.552 -3.877 1.00 0.00 H new ATOM 840 N PRO A 55 -11.397 -14.342 -7.063 1.00 0.00 N ATOM 841 CA PRO A 55 -12.004 -15.428 -6.288 1.00 0.00 C ATOM 842 C PRO A 55 -11.415 -15.540 -4.886 1.00 0.00 C ATOM 843 O PRO A 55 -10.752 -14.621 -4.406 1.00 0.00 O ATOM 844 CB PRO A 55 -11.674 -16.677 -7.108 1.00 0.00 C ATOM 845 CG PRO A 55 -10.444 -16.317 -7.868 1.00 0.00 C ATOM 846 CD PRO A 55 -10.555 -14.846 -8.161 1.00 0.00 C ATOM 0 HA PRO A 55 -13.072 -15.272 -6.135 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.503 -17.540 -6.464 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.492 -16.937 -7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.548 -16.533 -7.286 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.372 -16.894 -8.790 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.578 -14.364 -8.172 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.011 -14.663 -9.134 1.00 0.00 H new ATOM 854 N ALA A 56 -11.660 -16.672 -4.234 1.00 0.00 N ATOM 855 CA ALA A 56 -11.151 -16.904 -2.888 1.00 0.00 C ATOM 856 C ALA A 56 -9.722 -17.435 -2.925 1.00 0.00 C ATOM 857 O ALA A 56 -9.338 -18.268 -2.106 1.00 0.00 O ATOM 858 CB ALA A 56 -12.057 -17.872 -2.141 1.00 0.00 C ATOM 0 H ALA A 56 -12.208 -17.443 -4.616 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.142 -15.950 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.665 -18.036 -1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.061 -17.453 -2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.095 -18.821 -2.676 1.00 0.00 H new ATOM 864 N ASN A 57 -8.940 -16.947 -3.882 1.00 0.00 N ATOM 865 CA ASN A 57 -7.553 -17.373 -4.027 1.00 0.00 C ATOM 866 C ASN A 57 -6.849 -16.574 -5.119 1.00 0.00 C ATOM 867 O ASN A 57 -7.128 -16.742 -6.307 1.00 0.00 O ATOM 868 CB ASN A 57 -7.488 -18.867 -4.351 1.00 0.00 C ATOM 869 CG ASN A 57 -7.412 -19.727 -3.104 1.00 0.00 C ATOM 870 OD1 ASN A 57 -8.273 -20.574 -2.867 1.00 0.00 O ATOM 871 ND2 ASN A 57 -6.378 -19.511 -2.300 1.00 0.00 N ATOM 0 H ASN A 57 -9.243 -16.256 -4.569 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.043 -17.190 -3.081 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.367 -19.149 -4.930 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.618 -19.063 -4.977 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.273 -20.058 -1.446 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.688 -18.798 -2.537 1.00 0.00 H new ATOM 878 N THR A 58 -5.932 -15.702 -4.710 1.00 0.00 N ATOM 879 CA THR A 58 -5.188 -14.876 -5.652 1.00 0.00 C ATOM 880 C THR A 58 -3.791 -14.566 -5.127 1.00 0.00 C ATOM 881 O THR A 58 -3.582 -14.443 -3.920 1.00 0.00 O ATOM 882 CB THR A 58 -5.921 -13.552 -5.939 1.00 0.00 C ATOM 883 OG1 THR A 58 -6.120 -12.828 -4.719 1.00 0.00 O ATOM 884 CG2 THR A 58 -7.264 -13.810 -6.606 1.00 0.00 C ATOM 0 H THR A 58 -5.687 -15.550 -3.732 1.00 0.00 H new ATOM 0 HA THR A 58 -5.108 -15.446 -6.577 1.00 0.00 H new ATOM 0 HB THR A 58 -5.305 -12.961 -6.616 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.042 -12.499 -4.681 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.763 -12.860 -6.799 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.107 -14.335 -7.548 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.885 -14.419 -5.950 1.00 0.00 H new ATOM 892 N LYS A 59 -2.835 -14.442 -6.042 1.00 0.00 N ATOM 893 CA LYS A 59 -1.456 -14.145 -5.673 1.00 0.00 C ATOM 894 C LYS A 59 -1.333 -12.726 -5.127 1.00 0.00 C ATOM 895 O LYS A 59 -2.253 -11.918 -5.256 1.00 0.00 O ATOM 896 CB LYS A 59 -0.534 -14.319 -6.881 1.00 0.00 C ATOM 897 CG LYS A 59 -0.613 -13.176 -7.878 1.00 0.00 C ATOM 898 CD LYS A 59 -1.785 -13.346 -8.830 1.00 0.00 C ATOM 899 CE LYS A 59 -1.729 -12.338 -9.968 1.00 0.00 C ATOM 900 NZ LYS A 59 -2.871 -12.500 -10.909 1.00 0.00 N ATOM 0 H LYS A 59 -2.990 -14.543 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.157 -14.844 -4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.494 -14.414 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.786 -15.250 -7.388 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.712 -12.232 -7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.315 -13.124 -8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.781 -14.357 -9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.720 -13.227 -8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.736 -11.328 -9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.791 -12.455 -10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.797 -11.795 -11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.850 -13.456 -11.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.765 -12.363 -10.396 1.00 0.00 H new ATOM 914 N TYR A 60 -0.190 -12.428 -4.519 1.00 0.00 N ATOM 915 CA TYR A 60 0.053 -11.106 -3.953 1.00 0.00 C ATOM 916 C TYR A 60 0.797 -10.217 -4.945 1.00 0.00 C ATOM 917 O TYR A 60 1.914 -10.527 -5.359 1.00 0.00 O ATOM 918 CB TYR A 60 0.855 -11.224 -2.656 1.00 0.00 C ATOM 919 CG TYR A 60 -0.006 -11.412 -1.427 1.00 0.00 C ATOM 920 CD1 TYR A 60 -1.062 -10.551 -1.156 1.00 0.00 C ATOM 921 CD2 TYR A 60 0.238 -12.449 -0.536 1.00 0.00 C ATOM 922 CE1 TYR A 60 -1.851 -10.718 -0.035 1.00 0.00 C ATOM 923 CE2 TYR A 60 -0.546 -12.625 0.588 1.00 0.00 C ATOM 924 CZ TYR A 60 -1.589 -11.757 0.834 1.00 0.00 C ATOM 925 OH TYR A 60 -2.372 -11.928 1.953 1.00 0.00 O ATOM 0 H TYR A 60 0.583 -13.084 -4.405 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.912 -10.648 -3.736 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.543 -12.065 -2.739 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.462 -10.327 -2.531 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.270 -9.736 -1.834 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.055 -13.130 -0.725 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.668 -10.039 0.160 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.343 -13.438 1.270 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.055 -12.706 2.458 1.00 0.00 H new ATOM 935 N LYS A 61 0.169 -9.109 -5.322 1.00 0.00 N ATOM 936 CA LYS A 61 0.769 -8.171 -6.264 1.00 0.00 C ATOM 937 C LYS A 61 1.731 -7.226 -5.552 1.00 0.00 C ATOM 938 O LYS A 61 1.823 -7.228 -4.325 1.00 0.00 O ATOM 939 CB LYS A 61 -0.320 -7.366 -6.977 1.00 0.00 C ATOM 940 CG LYS A 61 -1.226 -8.213 -7.854 1.00 0.00 C ATOM 941 CD LYS A 61 -1.809 -7.402 -8.999 1.00 0.00 C ATOM 942 CE LYS A 61 -0.795 -7.206 -10.116 1.00 0.00 C ATOM 943 NZ LYS A 61 -0.713 -8.396 -11.006 1.00 0.00 N ATOM 0 H LYS A 61 -0.756 -8.838 -4.989 1.00 0.00 H new ATOM 0 HA LYS A 61 1.330 -8.744 -7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.927 -6.852 -6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.151 -6.598 -7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.663 -9.056 -8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.034 -8.627 -7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.691 -7.907 -9.392 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.136 -6.431 -8.629 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.068 -6.330 -10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.186 -7.007 -9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.011 -8.223 -11.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.428 -9.227 -10.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.643 -8.571 -11.438 1.00 0.00 H new ATOM 957 N ASN A 62 2.444 -6.418 -6.330 1.00 0.00 N ATOM 958 CA ASN A 62 3.399 -5.466 -5.773 1.00 0.00 C ATOM 959 C ASN A 62 3.646 -4.314 -6.741 1.00 0.00 C ATOM 960 O ASN A 62 3.560 -4.482 -7.957 1.00 0.00 O ATOM 961 CB ASN A 62 4.720 -6.167 -5.449 1.00 0.00 C ATOM 962 CG ASN A 62 5.259 -6.956 -6.626 1.00 0.00 C ATOM 963 OD1 ASN A 62 6.076 -6.457 -7.400 1.00 0.00 O ATOM 964 ND2 ASN A 62 4.803 -8.195 -6.767 1.00 0.00 N ATOM 0 H ASN A 62 2.379 -6.403 -7.348 1.00 0.00 H new ATOM 0 HA ASN A 62 2.976 -5.060 -4.854 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.457 -5.424 -5.145 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.574 -6.837 -4.602 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.130 -8.774 -7.541 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.126 -8.568 -6.102 1.00 0.00 H new ATOM 971 N ALA A 63 3.954 -3.143 -6.192 1.00 0.00 N ATOM 972 CA ALA A 63 4.216 -1.963 -7.007 1.00 0.00 C ATOM 973 C ALA A 63 5.511 -1.279 -6.582 1.00 0.00 C ATOM 974 O ALA A 63 5.812 -1.184 -5.393 1.00 0.00 O ATOM 975 CB ALA A 63 3.049 -0.990 -6.918 1.00 0.00 C ATOM 0 H ALA A 63 4.028 -2.987 -5.187 1.00 0.00 H new ATOM 0 HA ALA A 63 4.328 -2.285 -8.042 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.258 -0.114 -7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.142 -1.476 -7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.910 -0.683 -5.882 1.00 0.00 H new ATOM 981 N ASN A 64 6.274 -0.806 -7.561 1.00 0.00 N ATOM 982 CA ASN A 64 7.538 -0.132 -7.288 1.00 0.00 C ATOM 983 C ASN A 64 7.391 1.380 -7.432 1.00 0.00 C ATOM 984 O ASN A 64 7.138 1.888 -8.524 1.00 0.00 O ATOM 985 CB ASN A 64 8.627 -0.642 -8.234 1.00 0.00 C ATOM 986 CG ASN A 64 8.217 -0.549 -9.691 1.00 0.00 C ATOM 987 OD1 ASN A 64 7.206 -1.120 -10.100 1.00 0.00 O ATOM 988 ND2 ASN A 64 9.002 0.173 -10.482 1.00 0.00 N ATOM 0 H ASN A 64 6.039 -0.877 -8.551 1.00 0.00 H new ATOM 0 HA ASN A 64 7.825 -0.355 -6.260 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.539 -0.065 -8.078 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.860 -1.679 -7.990 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.777 0.272 -11.472 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.830 0.629 -10.100 1.00 0.00 H new ATOM 995 N ALA A 65 7.552 2.093 -6.322 1.00 0.00 N ATOM 996 CA ALA A 65 7.439 3.546 -6.325 1.00 0.00 C ATOM 997 C ALA A 65 8.075 4.148 -5.076 1.00 0.00 C ATOM 998 O ALA A 65 7.771 3.744 -3.954 1.00 0.00 O ATOM 999 CB ALA A 65 5.980 3.963 -6.429 1.00 0.00 C ATOM 0 H ALA A 65 7.761 1.688 -5.410 1.00 0.00 H new ATOM 0 HA ALA A 65 7.976 3.925 -7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.912 5.051 -6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.555 3.572 -7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.426 3.566 -5.578 1.00 0.00 H new ATOM 1005 N THR A 66 8.962 5.118 -5.279 1.00 0.00 N ATOM 1006 CA THR A 66 9.643 5.775 -4.170 1.00 0.00 C ATOM 1007 C THR A 66 8.929 7.061 -3.771 1.00 0.00 C ATOM 1008 O THR A 66 9.147 8.116 -4.369 1.00 0.00 O ATOM 1009 CB THR A 66 11.106 6.101 -4.523 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.153 7.136 -5.511 1.00 0.00 O ATOM 1011 CG2 THR A 66 11.826 4.865 -5.041 1.00 0.00 C ATOM 0 H THR A 66 9.225 5.466 -6.201 1.00 0.00 H new ATOM 0 HA THR A 66 9.626 5.079 -3.332 1.00 0.00 H new ATOM 0 HB THR A 66 11.608 6.441 -3.617 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.671 7.924 -5.183 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.858 5.120 -5.284 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.814 4.089 -4.275 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.323 4.499 -5.936 1.00 0.00 H new ATOM 1019 N THR A 67 8.075 6.969 -2.756 1.00 0.00 N ATOM 1020 CA THR A 67 7.329 8.126 -2.278 1.00 0.00 C ATOM 1021 C THR A 67 6.496 7.773 -1.051 1.00 0.00 C ATOM 1022 O THR A 67 6.398 6.607 -0.668 1.00 0.00 O ATOM 1023 CB THR A 67 6.400 8.687 -3.371 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.314 9.402 -2.771 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.855 7.567 -4.245 1.00 0.00 C ATOM 0 H THR A 67 7.883 6.105 -2.249 1.00 0.00 H new ATOM 0 HA THR A 67 8.062 8.887 -2.010 1.00 0.00 H new ATOM 0 HB THR A 67 6.980 9.366 -3.997 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.729 9.757 -3.472 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.202 7.987 -5.010 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.683 7.043 -4.723 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.290 6.867 -3.629 1.00 0.00 H new ATOM 1033 N LEU A 68 5.897 8.788 -0.437 1.00 0.00 N ATOM 1034 CA LEU A 68 5.070 8.585 0.748 1.00 0.00 C ATOM 1035 C LEU A 68 3.600 8.437 0.368 1.00 0.00 C ATOM 1036 O LEU A 68 2.710 8.692 1.179 1.00 0.00 O ATOM 1037 CB LEU A 68 5.242 9.753 1.720 1.00 0.00 C ATOM 1038 CG LEU A 68 6.522 9.748 2.557 1.00 0.00 C ATOM 1039 CD1 LEU A 68 6.883 11.160 2.990 1.00 0.00 C ATOM 1040 CD2 LEU A 68 6.363 8.840 3.768 1.00 0.00 C ATOM 0 H LEU A 68 5.968 9.759 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 68 5.395 7.665 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.208 10.682 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.389 9.764 2.398 1.00 0.00 H new ATOM 0 HG LEU A 68 7.334 9.361 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.796 11.136 3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.040 11.782 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.072 11.576 3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.283 8.848 4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.538 9.197 4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.154 7.823 3.435 1.00 0.00 H new ATOM 1052 N SER A 69 3.354 8.022 -0.871 1.00 0.00 N ATOM 1053 CA SER A 69 1.992 7.841 -1.359 1.00 0.00 C ATOM 1054 C SER A 69 1.979 7.005 -2.636 1.00 0.00 C ATOM 1055 O SER A 69 3.029 6.698 -3.201 1.00 0.00 O ATOM 1056 CB SER A 69 1.336 9.199 -1.618 1.00 0.00 C ATOM 1057 OG SER A 69 0.039 9.042 -2.167 1.00 0.00 O ATOM 0 H SER A 69 4.080 7.805 -1.554 1.00 0.00 H new ATOM 0 HA SER A 69 1.425 7.312 -0.593 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.274 9.760 -0.686 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.955 9.781 -2.300 1.00 0.00 H new ATOM 0 HG SER A 69 -0.360 9.924 -2.322 1.00 0.00 H new ATOM 1063 N TYR A 70 0.783 6.641 -3.084 1.00 0.00 N ATOM 1064 CA TYR A 70 0.632 5.838 -4.292 1.00 0.00 C ATOM 1065 C TYR A 70 -0.823 5.815 -4.752 1.00 0.00 C ATOM 1066 O TYR A 70 -1.731 5.548 -3.964 1.00 0.00 O ATOM 1067 CB TYR A 70 1.124 4.411 -4.047 1.00 0.00 C ATOM 1068 CG TYR A 70 1.452 3.657 -5.315 1.00 0.00 C ATOM 1069 CD1 TYR A 70 0.499 3.490 -6.314 1.00 0.00 C ATOM 1070 CD2 TYR A 70 2.713 3.110 -5.516 1.00 0.00 C ATOM 1071 CE1 TYR A 70 0.794 2.801 -7.474 1.00 0.00 C ATOM 1072 CE2 TYR A 70 3.017 2.421 -6.674 1.00 0.00 C ATOM 1073 CZ TYR A 70 2.055 2.269 -7.650 1.00 0.00 C ATOM 1074 OH TYR A 70 2.353 1.583 -8.804 1.00 0.00 O ATOM 0 H TYR A 70 -0.096 6.889 -2.629 1.00 0.00 H new ATOM 0 HA TYR A 70 1.236 6.293 -5.077 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.011 4.445 -3.415 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.361 3.862 -3.495 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.489 3.906 -6.180 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.469 3.225 -4.753 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.042 2.679 -8.239 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.003 2.004 -6.814 1.00 0.00 H new ATOM 0 HH TYR A 70 3.306 1.687 -9.009 1.00 0.00 H new ATOM 1084 N LEU A 71 -1.036 6.095 -6.033 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.380 6.106 -6.601 1.00 0.00 C ATOM 1086 C LEU A 71 -2.640 4.839 -7.408 1.00 0.00 C ATOM 1087 O LEU A 71 -2.361 4.785 -8.606 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.570 7.338 -7.488 1.00 0.00 C ATOM 1089 CG LEU A 71 -3.988 7.905 -7.553 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -4.912 6.950 -8.293 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -4.516 8.183 -6.153 1.00 0.00 C ATOM 0 H LEU A 71 -0.295 6.317 -6.698 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.095 6.144 -5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.902 8.123 -7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.255 7.085 -8.500 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.957 8.846 -8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.917 7.371 -8.329 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.544 6.801 -9.308 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.938 5.993 -7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.527 8.586 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.532 7.256 -5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.868 8.906 -5.657 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.178 3.820 -6.745 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.480 2.554 -7.402 1.00 0.00 C ATOM 1105 C VAL A 72 -4.678 2.690 -8.334 1.00 0.00 C ATOM 1106 O VAL A 72 -5.728 3.202 -7.944 1.00 0.00 O ATOM 1107 CB VAL A 72 -3.767 1.443 -6.374 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -3.850 0.088 -7.061 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -2.701 1.435 -5.288 1.00 0.00 C ATOM 0 H VAL A 72 -3.414 3.847 -5.753 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.600 2.282 -7.984 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.730 1.645 -5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.053 -0.684 -6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.652 0.103 -7.799 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.904 -0.126 -7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.919 0.644 -4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.724 1.257 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.695 2.398 -4.777 1.00 0.00 H new ATOM 1119 N THR A 73 -4.515 2.228 -9.570 1.00 0.00 N ATOM 1120 CA THR A 73 -5.583 2.298 -10.560 1.00 0.00 C ATOM 1121 C THR A 73 -5.701 0.991 -11.334 1.00 0.00 C ATOM 1122 O THR A 73 -4.765 0.194 -11.374 1.00 0.00 O ATOM 1123 CB THR A 73 -5.352 3.452 -11.554 1.00 0.00 C ATOM 1124 OG1 THR A 73 -4.072 3.310 -12.181 1.00 0.00 O ATOM 1125 CG2 THR A 73 -5.430 4.798 -10.849 1.00 0.00 C ATOM 0 H THR A 73 -3.653 1.801 -9.909 1.00 0.00 H new ATOM 0 HA THR A 73 -6.509 2.478 -10.014 1.00 0.00 H new ATOM 0 HB THR A 73 -6.134 3.411 -12.312 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.934 4.046 -12.813 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.264 5.597 -11.571 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.415 4.916 -10.398 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.667 4.847 -10.072 1.00 0.00 H new ATOM 1133 N GLY A 74 -6.860 0.776 -11.950 1.00 0.00 N ATOM 1134 CA GLY A 74 -7.079 -0.437 -12.717 1.00 0.00 C ATOM 1135 C GLY A 74 -7.704 -1.541 -11.888 1.00 0.00 C ATOM 1136 O GLY A 74 -7.369 -2.715 -12.049 1.00 0.00 O ATOM 0 H GLY A 74 -7.651 1.420 -11.932 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.725 -0.215 -13.567 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.128 -0.784 -13.122 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.615 -1.166 -10.996 1.00 0.00 N ATOM 1141 CA LEU A 75 -9.288 -2.133 -10.137 1.00 0.00 C ATOM 1142 C LEU A 75 -10.753 -2.289 -10.535 1.00 0.00 C ATOM 1143 O LEU A 75 -11.348 -1.384 -11.120 1.00 0.00 O ATOM 1144 CB LEU A 75 -9.189 -1.701 -8.673 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.811 -1.234 -8.203 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -7.942 -0.291 -7.017 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -6.937 -2.426 -7.844 1.00 0.00 C ATOM 0 H LEU A 75 -8.904 -0.199 -10.849 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.793 -3.096 -10.259 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.901 -0.893 -8.504 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.501 -2.537 -8.046 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.335 -0.693 -9.020 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.951 0.031 -6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.530 0.580 -7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.439 -0.807 -6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.960 -2.074 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.409 -2.995 -7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.814 -3.064 -8.719 1.00 0.00 H new ATOM 1159 N LYS A 76 -11.329 -3.442 -10.211 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.725 -3.716 -10.530 1.00 0.00 C ATOM 1161 C LYS A 76 -13.657 -2.922 -9.621 1.00 0.00 C ATOM 1162 O LYS A 76 -13.331 -2.613 -8.474 1.00 0.00 O ATOM 1163 CB LYS A 76 -13.016 -5.212 -10.396 1.00 0.00 C ATOM 1164 CG LYS A 76 -12.026 -6.093 -11.138 1.00 0.00 C ATOM 1165 CD LYS A 76 -12.515 -6.423 -12.539 1.00 0.00 C ATOM 1166 CE LYS A 76 -12.073 -5.372 -13.545 1.00 0.00 C ATOM 1167 NZ LYS A 76 -13.102 -4.312 -13.729 1.00 0.00 N ATOM 0 H LYS A 76 -10.850 -4.202 -9.728 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.903 -3.409 -11.560 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.009 -5.482 -9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.020 -5.413 -10.770 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.062 -5.588 -11.198 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.869 -7.016 -10.580 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.132 -7.399 -12.839 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.603 -6.493 -12.539 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.140 -4.918 -13.210 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.869 -5.850 -14.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.380 -4.269 -14.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.935 -4.532 -13.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.710 -3.394 -13.439 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.847 -2.584 -10.141 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.851 -1.824 -9.391 1.00 0.00 C ATOM 1183 C PRO A 77 -16.468 -2.638 -8.259 1.00 0.00 C ATOM 1184 O PRO A 77 -16.641 -3.850 -8.376 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.908 -1.494 -10.449 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.763 -2.563 -11.476 1.00 0.00 C ATOM 1187 CD PRO A 77 -15.302 -2.919 -11.501 1.00 0.00 C ATOM 0 HA PRO A 77 -15.421 -0.946 -8.908 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.910 -1.491 -10.020 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.742 -0.506 -10.879 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.372 -3.431 -11.224 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.096 -2.213 -12.453 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.149 -3.974 -11.728 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.762 -2.349 -12.257 1.00 0.00 H new ATOM 1195 N ASN A 78 -16.798 -1.963 -7.162 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.395 -2.624 -6.008 1.00 0.00 C ATOM 1197 C ASN A 78 -16.733 -3.974 -5.751 1.00 0.00 C ATOM 1198 O ASN A 78 -17.410 -4.990 -5.587 1.00 0.00 O ATOM 1199 CB ASN A 78 -18.898 -2.813 -6.224 1.00 0.00 C ATOM 1200 CG ASN A 78 -19.674 -2.810 -4.921 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -20.587 -2.005 -4.732 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -19.314 -3.712 -4.016 1.00 0.00 N ATOM 0 H ASN A 78 -16.662 -0.959 -7.049 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.237 -1.990 -5.135 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.273 -2.018 -6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.072 -3.754 -6.745 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -19.800 -3.758 -3.120 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -18.551 -4.359 -4.216 1.00 0.00 H new ATOM 1209 N THR A 79 -15.404 -3.978 -5.717 1.00 0.00 N ATOM 1210 CA THR A 79 -14.649 -5.203 -5.481 1.00 0.00 C ATOM 1211 C THR A 79 -13.682 -5.036 -4.315 1.00 0.00 C ATOM 1212 O THR A 79 -12.986 -4.025 -4.211 1.00 0.00 O ATOM 1213 CB THR A 79 -13.857 -5.624 -6.733 1.00 0.00 C ATOM 1214 OG1 THR A 79 -14.752 -5.837 -7.831 1.00 0.00 O ATOM 1215 CG2 THR A 79 -13.062 -6.894 -6.468 1.00 0.00 C ATOM 0 H THR A 79 -14.828 -3.147 -5.850 1.00 0.00 H new ATOM 0 HA THR A 79 -15.374 -5.980 -5.240 1.00 0.00 H new ATOM 0 HB THR A 79 -13.161 -4.823 -6.982 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.316 -5.045 -7.951 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.511 -7.172 -7.366 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.361 -6.721 -5.651 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.744 -7.700 -6.196 1.00 0.00 H new ATOM 1223 N LEU A 80 -13.643 -6.034 -3.439 1.00 0.00 N ATOM 1224 CA LEU A 80 -12.759 -5.998 -2.278 1.00 0.00 C ATOM 1225 C LEU A 80 -11.296 -6.059 -2.705 1.00 0.00 C ATOM 1226 O LEU A 80 -10.908 -6.910 -3.505 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.076 -7.161 -1.336 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.753 -6.934 0.142 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -11.304 -6.508 0.312 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -13.691 -5.895 0.739 1.00 0.00 C ATOM 0 H LEU A 80 -14.212 -6.877 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.926 -5.057 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.137 -7.395 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.527 -8.039 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.898 -7.874 0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.093 -6.351 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.648 -7.286 -0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.131 -5.581 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -13.447 -5.746 1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.578 -4.952 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.721 -6.241 0.651 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.490 -5.152 -2.165 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.069 -5.102 -2.490 1.00 0.00 C ATOM 1244 C TYR A 81 -8.239 -4.768 -1.255 1.00 0.00 C ATOM 1245 O TYR A 81 -8.715 -4.102 -0.336 1.00 0.00 O ATOM 1246 CB TYR A 81 -8.812 -4.067 -3.587 1.00 0.00 C ATOM 1247 CG TYR A 81 -8.941 -4.624 -4.987 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -7.878 -5.281 -5.595 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -10.124 -4.491 -5.702 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -7.991 -5.790 -6.874 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -10.247 -4.999 -6.981 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.177 -5.647 -7.563 1.00 0.00 C ATOM 1253 OH TYR A 81 -9.294 -6.152 -8.837 1.00 0.00 O ATOM 0 H TYR A 81 -10.796 -4.441 -1.500 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.770 -6.086 -2.851 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.513 -3.241 -3.467 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.811 -3.656 -3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.948 -5.396 -5.058 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -10.962 -3.982 -5.250 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.155 -6.297 -7.332 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.175 -4.889 -7.522 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.240 -6.186 -9.090 1.00 0.00 H new ATOM 1263 N GLU A 82 -6.995 -5.236 -1.242 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.098 -4.988 -0.120 1.00 0.00 C ATOM 1265 C GLU A 82 -5.006 -3.994 -0.506 1.00 0.00 C ATOM 1266 O GLU A 82 -4.708 -3.810 -1.686 1.00 0.00 O ATOM 1267 CB GLU A 82 -5.465 -6.297 0.356 1.00 0.00 C ATOM 1268 CG GLU A 82 -6.348 -7.089 1.307 1.00 0.00 C ATOM 1269 CD GLU A 82 -5.802 -8.475 1.591 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -4.627 -8.577 2.003 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -6.549 -9.458 1.401 1.00 0.00 O ATOM 0 H GLU A 82 -6.586 -5.789 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.685 -4.560 0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.233 -6.915 -0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.520 -6.075 0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.448 -6.542 2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.348 -7.176 0.881 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.414 -3.355 0.498 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.356 -2.379 0.265 1.00 0.00 C ATOM 1280 C PHE A 83 -2.382 -2.341 1.438 1.00 0.00 C ATOM 1281 O PHE A 83 -2.791 -2.264 2.597 1.00 0.00 O ATOM 1282 CB PHE A 83 -3.956 -0.989 0.041 1.00 0.00 C ATOM 1283 CG PHE A 83 -4.921 -0.930 -1.108 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -4.466 -0.984 -2.415 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -6.284 -0.822 -0.881 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -5.352 -0.930 -3.475 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -7.175 -0.768 -1.936 1.00 0.00 C ATOM 1288 CZ PHE A 83 -6.708 -0.823 -3.235 1.00 0.00 C ATOM 0 H PHE A 83 -4.649 -3.496 1.481 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.809 -2.680 -0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.467 -0.672 0.950 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.149 -0.278 -0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.407 -1.069 -2.608 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.654 -0.780 0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.984 -0.971 -4.490 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.235 -0.683 -1.745 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.402 -0.782 -4.061 1.00 0.00 H new ATOM 1298 N SER A 84 -1.090 -2.398 1.130 1.00 0.00 N ATOM 1299 CA SER A 84 -0.056 -2.376 2.158 1.00 0.00 C ATOM 1300 C SER A 84 1.164 -1.592 1.684 1.00 0.00 C ATOM 1301 O SER A 84 1.328 -1.338 0.491 1.00 0.00 O ATOM 1302 CB SER A 84 0.353 -3.802 2.531 1.00 0.00 C ATOM 1303 OG SER A 84 -0.636 -4.422 3.334 1.00 0.00 O ATOM 0 H SER A 84 -0.734 -2.460 0.176 1.00 0.00 H new ATOM 0 HA SER A 84 -0.465 -1.881 3.039 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.510 -4.387 1.625 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.302 -3.783 3.067 1.00 0.00 H new ATOM 0 HG SER A 84 -1.421 -3.838 3.396 1.00 0.00 H new ATOM 1309 N VAL A 85 2.018 -1.211 2.629 1.00 0.00 N ATOM 1310 CA VAL A 85 3.224 -0.457 2.310 1.00 0.00 C ATOM 1311 C VAL A 85 4.386 -0.874 3.205 1.00 0.00 C ATOM 1312 O VAL A 85 4.252 -0.930 4.427 1.00 0.00 O ATOM 1313 CB VAL A 85 2.995 1.059 2.459 1.00 0.00 C ATOM 1314 CG1 VAL A 85 4.163 1.836 1.873 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.687 1.467 1.797 1.00 0.00 C ATOM 0 H VAL A 85 1.897 -1.412 3.622 1.00 0.00 H new ATOM 0 HA VAL A 85 3.470 -0.679 1.272 1.00 0.00 H new ATOM 0 HB VAL A 85 2.929 1.296 3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.983 2.905 1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.080 1.564 2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.265 1.597 0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.541 2.541 1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.722 1.217 0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.860 0.936 2.268 1.00 0.00 H new ATOM 1325 N MET A 86 5.526 -1.165 2.588 1.00 0.00 N ATOM 1326 CA MET A 86 6.713 -1.576 3.330 1.00 0.00 C ATOM 1327 C MET A 86 7.963 -0.905 2.770 1.00 0.00 C ATOM 1328 O MET A 86 8.025 -0.575 1.586 1.00 0.00 O ATOM 1329 CB MET A 86 6.870 -3.097 3.281 1.00 0.00 C ATOM 1330 CG MET A 86 7.353 -3.615 1.935 1.00 0.00 C ATOM 1331 SD MET A 86 7.659 -5.392 1.944 1.00 0.00 S ATOM 1332 CE MET A 86 9.286 -5.451 2.691 1.00 0.00 C ATOM 0 H MET A 86 5.654 -1.124 1.577 1.00 0.00 H new ATOM 0 HA MET A 86 6.589 -1.265 4.367 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.573 -3.407 4.054 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.912 -3.561 3.517 1.00 0.00 H new ATOM 0 HG2 MET A 86 6.610 -3.382 1.172 1.00 0.00 H new ATOM 0 HG3 MET A 86 8.269 -3.094 1.657 1.00 0.00 H new ATOM 0 HE1 MET A 86 9.988 -5.915 1.998 1.00 0.00 H new ATOM 0 HE2 MET A 86 9.618 -4.438 2.920 1.00 0.00 H new ATOM 0 HE3 MET A 86 9.243 -6.035 3.610 1.00 0.00 H new ATOM 1342 N VAL A 87 8.958 -0.706 3.629 1.00 0.00 N ATOM 1343 CA VAL A 87 10.207 -0.075 3.220 1.00 0.00 C ATOM 1344 C VAL A 87 11.375 -1.050 3.325 1.00 0.00 C ATOM 1345 O VAL A 87 11.440 -1.862 4.249 1.00 0.00 O ATOM 1346 CB VAL A 87 10.513 1.170 4.073 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.626 0.796 5.543 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.785 1.848 3.588 1.00 0.00 C ATOM 0 H VAL A 87 8.923 -0.973 4.613 1.00 0.00 H new ATOM 0 HA VAL A 87 10.083 0.228 2.180 1.00 0.00 H new ATOM 0 HB VAL A 87 9.689 1.875 3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.842 1.689 6.130 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.686 0.359 5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.430 0.072 5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.986 2.726 4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.620 1.152 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.661 2.153 2.549 1.00 0.00 H new ATOM 1358 N THR A 88 12.298 -0.963 2.373 1.00 0.00 N ATOM 1359 CA THR A 88 13.464 -1.837 2.358 1.00 0.00 C ATOM 1360 C THR A 88 14.727 -1.063 1.994 1.00 0.00 C ATOM 1361 O THR A 88 14.743 -0.300 1.028 1.00 0.00 O ATOM 1362 CB THR A 88 13.283 -2.999 1.362 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.114 -3.755 1.699 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.501 -3.910 1.366 1.00 0.00 C ATOM 0 H THR A 88 12.261 -0.296 1.602 1.00 0.00 H new ATOM 0 HA THR A 88 13.567 -2.243 3.364 1.00 0.00 H new ATOM 0 HB THR A 88 13.168 -2.578 0.363 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.005 -4.491 1.061 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.350 -4.723 0.655 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.384 -3.338 1.081 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.643 -4.323 2.365 1.00 0.00 H new ATOM 1372 N LYS A 89 15.784 -1.266 2.772 1.00 0.00 N ATOM 1373 CA LYS A 89 17.053 -0.589 2.532 1.00 0.00 C ATOM 1374 C LYS A 89 18.146 -1.142 3.441 1.00 0.00 C ATOM 1375 O LYS A 89 17.867 -1.637 4.532 1.00 0.00 O ATOM 1376 CB LYS A 89 16.901 0.917 2.757 1.00 0.00 C ATOM 1377 CG LYS A 89 18.194 1.693 2.573 1.00 0.00 C ATOM 1378 CD LYS A 89 18.070 3.116 3.091 1.00 0.00 C ATOM 1379 CE LYS A 89 18.267 3.179 4.598 1.00 0.00 C ATOM 1380 NZ LYS A 89 19.703 3.329 4.964 1.00 0.00 N ATOM 0 H LYS A 89 15.787 -1.895 3.575 1.00 0.00 H new ATOM 0 HA LYS A 89 17.342 -0.769 1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.153 1.305 2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.524 1.089 3.765 1.00 0.00 H new ATOM 0 HG2 LYS A 89 19.003 1.183 3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 89 18.461 1.712 1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.809 3.749 2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.088 3.514 2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.699 4.016 5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.869 2.273 5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.795 3.368 5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 20.241 2.517 4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 20.077 4.207 4.550 1.00 0.00 H new ATOM 1394 N GLY A 90 19.391 -1.053 2.983 1.00 0.00 N ATOM 1395 CA GLY A 90 20.507 -1.548 3.768 1.00 0.00 C ATOM 1396 C GLY A 90 20.403 -3.033 4.052 1.00 0.00 C ATOM 1397 O GLY A 90 20.458 -3.457 5.207 1.00 0.00 O ATOM 0 H GLY A 90 19.647 -0.647 2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 90 21.438 -1.347 3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 90 20.554 -1.003 4.711 1.00 0.00 H new ATOM 1401 N ARG A 91 20.250 -3.826 2.996 1.00 0.00 N ATOM 1402 CA ARG A 91 20.135 -5.273 3.138 1.00 0.00 C ATOM 1403 C ARG A 91 19.128 -5.634 4.226 1.00 0.00 C ATOM 1404 O ARG A 91 19.228 -6.689 4.852 1.00 0.00 O ATOM 1405 CB ARG A 91 21.498 -5.885 3.467 1.00 0.00 C ATOM 1406 CG ARG A 91 22.469 -5.871 2.298 1.00 0.00 C ATOM 1407 CD ARG A 91 23.761 -6.597 2.638 1.00 0.00 C ATOM 1408 NE ARG A 91 24.753 -5.703 3.229 1.00 0.00 N ATOM 1409 CZ ARG A 91 25.868 -6.126 3.815 1.00 0.00 C ATOM 1410 NH1 ARG A 91 26.131 -7.423 3.887 1.00 0.00 N ATOM 1411 NH2 ARG A 91 26.722 -5.251 4.329 1.00 0.00 N ATOM 0 H ARG A 91 20.203 -3.491 2.034 1.00 0.00 H new ATOM 0 HA ARG A 91 19.782 -5.679 2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.939 -5.341 4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 91 21.355 -6.914 3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 91 22.004 -6.341 1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 91 22.692 -4.841 2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 91 23.548 -7.411 3.331 1.00 0.00 H new ATOM 0 HD3 ARG A 91 24.172 -7.048 1.735 1.00 0.00 H new ATOM 0 HE ARG A 91 24.580 -4.698 3.190 1.00 0.00 H new ATOM 0 HH11 ARG A 91 25.477 -8.099 3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 91 26.988 -7.745 4.337 1.00 0.00 H new ATOM 0 HH21 ARG A 91 26.523 -4.252 4.275 1.00 0.00 H new ATOM 0 HH22 ARG A 91 27.578 -5.577 4.779 1.00 0.00 H new ATOM 1425 N ARG A 92 18.159 -4.751 4.445 1.00 0.00 N ATOM 1426 CA ARG A 92 17.135 -4.976 5.458 1.00 0.00 C ATOM 1427 C ARG A 92 15.748 -4.652 4.910 1.00 0.00 C ATOM 1428 O ARG A 92 15.615 -4.061 3.838 1.00 0.00 O ATOM 1429 CB ARG A 92 17.417 -4.125 6.697 1.00 0.00 C ATOM 1430 CG ARG A 92 18.721 -4.477 7.393 1.00 0.00 C ATOM 1431 CD ARG A 92 18.518 -5.556 8.445 1.00 0.00 C ATOM 1432 NE ARG A 92 18.195 -4.992 9.753 1.00 0.00 N ATOM 1433 CZ ARG A 92 18.367 -5.644 10.897 1.00 0.00 C ATOM 1434 NH1 ARG A 92 18.856 -6.877 10.895 1.00 0.00 N ATOM 1435 NH2 ARG A 92 18.049 -5.064 12.047 1.00 0.00 N ATOM 0 H ARG A 92 18.062 -3.873 3.935 1.00 0.00 H new ATOM 0 HA ARG A 92 17.160 -6.030 5.736 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.441 -3.074 6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.595 -4.242 7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.447 -4.819 6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.137 -3.585 7.861 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.716 -6.223 8.130 1.00 0.00 H new ATOM 0 HD3 ARG A 92 19.422 -6.160 8.524 1.00 0.00 H new ATOM 0 HE ARG A 92 17.817 -4.045 9.790 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.101 -7.327 10.013 1.00 0.00 H new ATOM 0 HH12 ARG A 92 18.987 -7.375 11.775 1.00 0.00 H new ATOM 0 HH21 ARG A 92 17.672 -4.116 12.053 1.00 0.00 H new ATOM 0 HH22 ARG A 92 18.182 -5.566 12.925 1.00 0.00 H new ATOM 1449 N SER A 93 14.717 -5.044 5.653 1.00 0.00 N ATOM 1450 CA SER A 93 13.340 -4.799 5.240 1.00 0.00 C ATOM 1451 C SER A 93 12.420 -4.696 6.452 1.00 0.00 C ATOM 1452 O SER A 93 12.786 -5.091 7.559 1.00 0.00 O ATOM 1453 CB SER A 93 12.858 -5.915 4.312 1.00 0.00 C ATOM 1454 OG SER A 93 12.925 -7.177 4.954 1.00 0.00 O ATOM 0 H SER A 93 14.810 -5.532 6.544 1.00 0.00 H new ATOM 0 HA SER A 93 13.311 -3.851 4.702 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.833 -5.716 4.001 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.468 -5.930 3.409 1.00 0.00 H new ATOM 0 HG SER A 93 12.610 -7.873 4.341 1.00 0.00 H new ATOM 1460 N SER A 94 11.222 -4.163 6.234 1.00 0.00 N ATOM 1461 CA SER A 94 10.249 -4.003 7.308 1.00 0.00 C ATOM 1462 C SER A 94 8.975 -4.787 7.008 1.00 0.00 C ATOM 1463 O SER A 94 8.598 -4.962 5.849 1.00 0.00 O ATOM 1464 CB SER A 94 9.916 -2.524 7.509 1.00 0.00 C ATOM 1465 OG SER A 94 9.136 -2.027 6.435 1.00 0.00 O ATOM 0 H SER A 94 10.902 -3.835 5.323 1.00 0.00 H new ATOM 0 HA SER A 94 10.690 -4.396 8.224 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.375 -2.394 8.446 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.838 -1.948 7.590 1.00 0.00 H new ATOM 0 HG SER A 94 8.193 -2.001 6.700 1.00 0.00 H new ATOM 1471 N THR A 95 8.315 -5.258 8.061 1.00 0.00 N ATOM 1472 CA THR A 95 7.084 -6.024 7.912 1.00 0.00 C ATOM 1473 C THR A 95 6.030 -5.228 7.150 1.00 0.00 C ATOM 1474 O THR A 95 6.242 -4.063 6.814 1.00 0.00 O ATOM 1475 CB THR A 95 6.509 -6.435 9.281 1.00 0.00 C ATOM 1476 OG1 THR A 95 5.479 -7.414 9.105 1.00 0.00 O ATOM 1477 CG2 THR A 95 5.948 -5.228 10.018 1.00 0.00 C ATOM 0 H THR A 95 8.613 -5.122 9.027 1.00 0.00 H new ATOM 0 HA THR A 95 7.337 -6.922 7.348 1.00 0.00 H new ATOM 0 HB THR A 95 7.317 -6.860 9.877 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.120 -7.672 9.980 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.548 -5.544 10.982 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.741 -4.497 10.176 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.152 -4.777 9.425 1.00 0.00 H new ATOM 1485 N TRP A 96 4.896 -5.865 6.880 1.00 0.00 N ATOM 1486 CA TRP A 96 3.809 -5.215 6.157 1.00 0.00 C ATOM 1487 C TRP A 96 2.968 -4.356 7.095 1.00 0.00 C ATOM 1488 O TRP A 96 2.549 -4.811 8.159 1.00 0.00 O ATOM 1489 CB TRP A 96 2.926 -6.261 5.474 1.00 0.00 C ATOM 1490 CG TRP A 96 3.637 -7.028 4.401 1.00 0.00 C ATOM 1491 CD1 TRP A 96 4.075 -8.320 4.470 1.00 0.00 C ATOM 1492 CD2 TRP A 96 3.993 -6.551 3.099 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.682 -8.674 3.289 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.644 -7.607 2.431 1.00 0.00 C ATOM 1495 CE3 TRP A 96 3.823 -5.335 2.431 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 5.125 -7.481 1.131 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 4.301 -5.212 1.140 1.00 0.00 C ATOM 1498 CH2 TRP A 96 4.945 -6.279 0.501 1.00 0.00 C ATOM 0 H TRP A 96 4.706 -6.830 7.151 1.00 0.00 H new ATOM 0 HA TRP A 96 4.247 -4.568 5.397 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.555 -6.959 6.225 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.057 -5.766 5.042 1.00 0.00 H new ATOM 0 HD1 TRP A 96 3.961 -8.968 5.327 1.00 0.00 H new ATOM 0 HE1 TRP A 96 5.094 -9.584 3.084 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.327 -4.507 2.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.623 -8.302 0.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.176 -4.277 0.615 1.00 0.00 H new ATOM 0 HH2 TRP A 96 5.307 -6.151 -0.509 1.00 0.00 H new ATOM 1509 N SER A 97 2.725 -3.113 6.694 1.00 0.00 N ATOM 1510 CA SER A 97 1.936 -2.189 7.502 1.00 0.00 C ATOM 1511 C SER A 97 0.474 -2.624 7.552 1.00 0.00 C ATOM 1512 O SER A 97 0.060 -3.531 6.831 1.00 0.00 O ATOM 1513 CB SER A 97 2.039 -0.770 6.939 1.00 0.00 C ATOM 1514 OG SER A 97 1.702 -0.741 5.563 1.00 0.00 O ATOM 0 H SER A 97 3.063 -2.722 5.815 1.00 0.00 H new ATOM 0 HA SER A 97 2.335 -2.199 8.516 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.375 -0.107 7.493 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.053 -0.394 7.076 1.00 0.00 H new ATOM 0 HG SER A 97 2.519 -0.655 5.028 1.00 0.00 H new ATOM 1520 N MET A 98 -0.302 -1.968 8.409 1.00 0.00 N ATOM 1521 CA MET A 98 -1.718 -2.285 8.553 1.00 0.00 C ATOM 1522 C MET A 98 -2.389 -2.411 7.189 1.00 0.00 C ATOM 1523 O MET A 98 -2.305 -1.505 6.358 1.00 0.00 O ATOM 1524 CB MET A 98 -2.421 -1.210 9.383 1.00 0.00 C ATOM 1525 CG MET A 98 -2.033 0.208 8.996 1.00 0.00 C ATOM 1526 SD MET A 98 -2.895 1.455 9.972 1.00 0.00 S ATOM 1527 CE MET A 98 -1.822 1.566 11.402 1.00 0.00 C ATOM 0 H MET A 98 0.026 -1.215 9.013 1.00 0.00 H new ATOM 0 HA MET A 98 -1.800 -3.242 9.068 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.499 -1.325 9.273 1.00 0.00 H new ATOM 0 HB3 MET A 98 -2.189 -1.367 10.436 1.00 0.00 H new ATOM 0 HG2 MET A 98 -0.958 0.333 9.122 1.00 0.00 H new ATOM 0 HG3 MET A 98 -2.251 0.365 7.940 1.00 0.00 H new ATOM 0 HE1 MET A 98 -2.222 2.300 12.101 1.00 0.00 H new ATOM 0 HE2 MET A 98 -1.765 0.593 11.890 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.825 1.873 11.086 1.00 0.00 H new ATOM 1537 N THR A 99 -3.054 -3.539 6.962 1.00 0.00 N ATOM 1538 CA THR A 99 -3.737 -3.783 5.699 1.00 0.00 C ATOM 1539 C THR A 99 -5.039 -2.995 5.616 1.00 0.00 C ATOM 1540 O THR A 99 -6.027 -3.341 6.263 1.00 0.00 O ATOM 1541 CB THR A 99 -4.044 -5.281 5.506 1.00 0.00 C ATOM 1542 OG1 THR A 99 -2.896 -6.064 5.850 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.448 -5.569 4.068 1.00 0.00 C ATOM 0 H THR A 99 -3.134 -4.299 7.638 1.00 0.00 H new ATOM 0 HA THR A 99 -3.064 -3.452 4.908 1.00 0.00 H new ATOM 0 HB THR A 99 -4.874 -5.547 6.160 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.099 -7.015 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.660 -6.632 3.956 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.339 -4.993 3.818 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.635 -5.288 3.398 1.00 0.00 H new ATOM 1551 N ALA A 100 -5.034 -1.934 4.816 1.00 0.00 N ATOM 1552 CA ALA A 100 -6.216 -1.098 4.647 1.00 0.00 C ATOM 1553 C ALA A 100 -7.119 -1.640 3.545 1.00 0.00 C ATOM 1554 O ALA A 100 -6.707 -1.750 2.389 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.809 0.336 4.342 1.00 0.00 C ATOM 0 H ALA A 100 -4.224 -1.633 4.274 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.778 -1.113 5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.702 0.949 4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.211 0.727 5.165 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.222 0.360 3.424 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.352 -1.979 3.909 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.313 -2.511 2.949 1.00 0.00 C ATOM 1563 C HIS A 101 -10.149 -1.389 2.340 1.00 0.00 C ATOM 1564 O HIS A 101 -10.768 -0.604 3.057 1.00 0.00 O ATOM 1565 CB HIS A 101 -10.226 -3.535 3.624 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.597 -4.885 3.784 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -9.452 -5.507 5.006 1.00 0.00 N ATOM 1568 CD2 HIS A 101 -9.075 -5.732 2.867 1.00 0.00 C ATOM 1569 CE1 HIS A 101 -8.867 -6.679 4.834 1.00 0.00 C ATOM 1570 NE2 HIS A 101 -8.628 -6.840 3.545 1.00 0.00 N ATOM 0 H HIS A 101 -8.709 -1.895 4.861 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.758 -3.002 2.150 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.516 -3.160 4.605 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -11.140 -3.636 3.039 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -9.750 -5.122 5.903 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -9.020 -5.568 1.801 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.625 -7.385 5.615 1.00 0.00 H new ATOM 1579 N GLY A 102 -10.163 -1.321 1.012 1.00 0.00 N ATOM 1580 CA GLY A 102 -10.925 -0.293 0.330 1.00 0.00 C ATOM 1581 C GLY A 102 -11.814 -0.857 -0.761 1.00 0.00 C ATOM 1582 O GLY A 102 -11.326 -1.430 -1.736 1.00 0.00 O ATOM 0 H GLY A 102 -9.660 -1.960 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.539 0.241 1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.240 0.435 -0.104 1.00 0.00 H new ATOM 1586 N THR A 103 -13.124 -0.696 -0.597 1.00 0.00 N ATOM 1587 CA THR A 103 -14.083 -1.196 -1.574 1.00 0.00 C ATOM 1588 C THR A 103 -14.483 -0.105 -2.561 1.00 0.00 C ATOM 1589 O THR A 103 -15.250 0.798 -2.226 1.00 0.00 O ATOM 1590 CB THR A 103 -15.350 -1.742 -0.889 1.00 0.00 C ATOM 1591 OG1 THR A 103 -14.997 -2.766 0.049 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.322 -2.302 -1.916 1.00 0.00 C ATOM 0 H THR A 103 -13.544 -0.223 0.203 1.00 0.00 H new ATOM 0 HA THR A 103 -13.592 -2.006 -2.112 1.00 0.00 H new ATOM 0 HB THR A 103 -15.835 -0.920 -0.364 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.808 -3.107 0.482 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.209 -2.682 -1.409 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.611 -1.514 -2.611 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.844 -3.113 -2.466 1.00 0.00 H new ATOM 1600 N THR A 104 -13.958 -0.194 -3.779 1.00 0.00 N ATOM 1601 CA THR A 104 -14.260 0.787 -4.814 1.00 0.00 C ATOM 1602 C THR A 104 -15.765 0.939 -5.005 1.00 0.00 C ATOM 1603 O THR A 104 -16.549 0.128 -4.511 1.00 0.00 O ATOM 1604 CB THR A 104 -13.620 0.397 -6.160 1.00 0.00 C ATOM 1605 OG1 THR A 104 -13.878 -0.982 -6.445 1.00 0.00 O ATOM 1606 CG2 THR A 104 -12.119 0.644 -6.137 1.00 0.00 C ATOM 0 H THR A 104 -13.322 -0.935 -4.073 1.00 0.00 H new ATOM 0 HA THR A 104 -13.841 1.737 -4.482 1.00 0.00 H new ATOM 0 HB THR A 104 -14.062 1.017 -6.940 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.491 -1.214 -7.315 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.689 0.361 -7.098 1.00 0.00 H new ATOM 0 HG22 THR A 104 -11.927 1.701 -5.950 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.664 0.047 -5.346 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.163 1.983 -5.724 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.575 2.242 -5.980 1.00 0.00 C ATOM 1616 C PHE A 105 -18.068 1.433 -7.176 1.00 0.00 C ATOM 1617 O PHE A 105 -17.272 0.908 -7.954 1.00 0.00 O ATOM 1618 CB PHE A 105 -17.805 3.734 -6.230 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.740 4.567 -4.982 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -18.417 4.178 -3.837 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -17.003 5.740 -4.954 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -18.359 4.943 -2.687 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.941 6.509 -3.807 1.00 0.00 C ATOM 1624 CZ PHE A 105 -17.621 6.110 -2.673 1.00 0.00 C ATOM 0 H PHE A 105 -15.527 2.664 -6.140 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.140 1.937 -5.099 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.059 4.095 -6.938 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -18.780 3.870 -6.698 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -18.997 3.267 -3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.471 6.057 -5.839 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -18.890 4.628 -1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -16.362 7.420 -3.798 1.00 0.00 H new ATOM 0 HZ PHE A 105 -17.576 6.710 -1.776 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.387 1.336 -7.314 1.00 0.00 N ATOM 1635 CA GLU A 106 -19.986 0.590 -8.414 1.00 0.00 C ATOM 1636 C GLU A 106 -19.838 1.347 -9.731 1.00 0.00 C ATOM 1637 O GLU A 106 -19.875 2.578 -9.759 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.466 0.322 -8.131 1.00 0.00 C ATOM 1639 CG GLU A 106 -22.344 1.555 -8.262 1.00 0.00 C ATOM 1640 CD GLU A 106 -22.472 2.321 -6.960 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -22.929 1.722 -5.963 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -22.116 3.517 -6.937 1.00 0.00 O ATOM 0 H GLU A 106 -20.060 1.764 -6.678 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.461 -0.361 -8.501 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -21.826 -0.444 -8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -21.567 -0.080 -7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -21.929 2.212 -9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -23.335 1.256 -8.602 1.00 0.00 H new ATOM 1649 N LEU A 107 -19.670 0.604 -10.818 1.00 0.00 N ATOM 1650 CA LEU A 107 -19.515 1.204 -12.139 1.00 0.00 C ATOM 1651 C LEU A 107 -20.873 1.438 -12.793 1.00 0.00 C ATOM 1652 O LEU A 107 -21.259 2.577 -13.054 1.00 0.00 O ATOM 1653 CB LEU A 107 -18.654 0.307 -13.031 1.00 0.00 C ATOM 1654 CG LEU A 107 -17.824 1.021 -14.098 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -16.819 0.064 -14.721 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -18.728 1.618 -15.166 1.00 0.00 C ATOM 0 H LEU A 107 -19.637 -0.415 -10.812 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.020 2.167 -12.018 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.978 -0.263 -12.394 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -19.306 -0.412 -13.527 1.00 0.00 H new ATOM 0 HG LEU A 107 -17.275 1.833 -13.621 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -16.237 0.590 -15.478 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -16.150 -0.315 -13.948 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.348 -0.769 -15.184 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -18.120 2.122 -15.917 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -19.305 0.824 -15.640 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -19.408 2.336 -14.707 1.00 0.00 H new