USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 837 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 66 ASN : amide:sc= -0.371! C(o=-1.4!,f=-6.7!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 154:sc= -1.07! (180deg=-2.76!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 48:sc= 0.0876 USER MOD Single : A 16 CYS SG : rot 39:sc= 0.0504 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.115 K(o=0.11,f=-5.1!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0.171 K(o=0.17,f=-5.5!) USER MOD Single : A 29 HIS : no HE2:sc= -3.81! C(o=-3.8!,f=-7.4!) USER MOD Single : A 32 LYS NZ :NH3+ -144:sc= -0.0895 (180deg=-0.478) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0.37 K(o=0.37,f=-2.5) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 7:sc= 0.0647! USER MOD Single : A 50 LYS NZ :NH3+ 170:sc=-0.00108 (180deg=-0.0951) USER MOD Single : A 63 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.44) USER MOD Single : A 71 THR OG1 : rot 124:sc= -1.41 USER MOD Single : A 72 HIS : no HD1:sc= -0.0598 X(o=-0.06,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 74 GLN : amide:sc= -1.3 K(o=-1.3,f=-6.3!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.01 K(o=-1,f=-0.00082) USER MOD Single : A 95 THR OG1 : rot 142:sc= 1.18 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 101 LYS NZ :NH3+ 173:sc= 1.19 (180deg=1.11) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 41 N PRO A 7 -6.719 -19.160 1.424 1.00 0.00 N ATOM 42 CA PRO A 7 -5.791 -18.556 2.384 1.00 0.00 C ATOM 43 C PRO A 7 -5.215 -17.252 1.862 1.00 0.00 C ATOM 44 O PRO A 7 -4.786 -16.392 2.628 1.00 0.00 O ATOM 45 CB PRO A 7 -4.683 -19.605 2.537 1.00 0.00 C ATOM 46 CG PRO A 7 -4.781 -20.476 1.330 1.00 0.00 C ATOM 47 CD PRO A 7 -6.214 -20.430 0.876 1.00 0.00 C ATOM 0 HA PRO A 7 -6.282 -18.308 3.325 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.703 -19.133 2.600 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -4.817 -20.185 3.450 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.115 -20.123 0.543 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.483 -21.498 1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.290 -20.454 -0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.780 -21.281 1.254 1.00 0.00 H new ATOM 55 N PHE A 8 -5.209 -17.128 0.546 1.00 0.00 N ATOM 56 CA PHE A 8 -4.730 -15.939 -0.122 1.00 0.00 C ATOM 57 C PHE A 8 -5.492 -15.735 -1.415 1.00 0.00 C ATOM 58 O PHE A 8 -5.890 -16.699 -2.075 1.00 0.00 O ATOM 59 CB PHE A 8 -3.230 -16.037 -0.387 1.00 0.00 C ATOM 60 CG PHE A 8 -2.402 -15.318 0.638 1.00 0.00 C ATOM 61 CD1 PHE A 8 -2.321 -13.935 0.624 1.00 0.00 C ATOM 62 CD2 PHE A 8 -1.714 -16.018 1.618 1.00 0.00 C ATOM 63 CE1 PHE A 8 -1.571 -13.263 1.567 1.00 0.00 C ATOM 64 CE2 PHE A 8 -0.960 -15.349 2.564 1.00 0.00 C ATOM 65 CZ PHE A 8 -0.888 -13.970 2.538 1.00 0.00 C ATOM 0 H PHE A 8 -5.539 -17.855 -0.089 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.900 -15.078 0.525 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.939 -17.087 -0.409 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.014 -15.626 -1.373 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.851 -13.377 -0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.768 -17.096 1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.518 -12.185 1.546 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.428 -15.904 3.322 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.299 -13.445 3.275 1.00 0.00 H new ATOM 75 N THR A 9 -5.691 -14.483 -1.767 1.00 0.00 N ATOM 76 CA THR A 9 -6.502 -14.116 -2.901 1.00 0.00 C ATOM 77 C THR A 9 -6.333 -12.626 -3.146 1.00 0.00 C ATOM 78 O THR A 9 -6.328 -11.847 -2.198 1.00 0.00 O ATOM 79 CB THR A 9 -7.989 -14.468 -2.653 1.00 0.00 C ATOM 80 OG1 THR A 9 -8.806 -14.032 -3.747 1.00 0.00 O ATOM 81 CG2 THR A 9 -8.487 -13.851 -1.355 1.00 0.00 C ATOM 0 H THR A 9 -5.291 -13.688 -1.269 1.00 0.00 H new ATOM 0 HA THR A 9 -6.181 -14.674 -3.780 1.00 0.00 H new ATOM 0 HB THR A 9 -8.062 -15.553 -2.572 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.741 -14.266 -3.570 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.534 -14.114 -1.205 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.895 -14.230 -0.522 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.389 -12.767 -1.407 1.00 0.00 H new ATOM 89 N MET A 10 -6.144 -12.251 -4.405 1.00 0.00 N ATOM 90 CA MET A 10 -5.854 -10.865 -4.772 1.00 0.00 C ATOM 91 C MET A 10 -4.661 -10.363 -3.966 1.00 0.00 C ATOM 92 O MET A 10 -4.774 -9.469 -3.126 1.00 0.00 O ATOM 93 CB MET A 10 -7.077 -9.958 -4.567 1.00 0.00 C ATOM 94 CG MET A 10 -6.830 -8.503 -4.956 1.00 0.00 C ATOM 95 SD MET A 10 -6.206 -8.325 -6.640 1.00 0.00 S ATOM 96 CE MET A 10 -5.918 -6.558 -6.704 1.00 0.00 C ATOM 0 H MET A 10 -6.186 -12.892 -5.198 1.00 0.00 H new ATOM 0 HA MET A 10 -5.608 -10.833 -5.833 1.00 0.00 H new ATOM 0 HB2 MET A 10 -7.909 -10.346 -5.154 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.378 -10.000 -3.520 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.760 -7.942 -4.857 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.116 -8.062 -4.260 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.529 -6.288 -7.686 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.855 -6.030 -6.527 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.194 -6.279 -5.938 1.00 0.00 H new ATOM 106 N LEU A 11 -3.523 -10.988 -4.203 1.00 0.00 N ATOM 107 CA LEU A 11 -2.300 -10.631 -3.514 1.00 0.00 C ATOM 108 C LEU A 11 -1.861 -9.224 -3.895 1.00 0.00 C ATOM 109 O LEU A 11 -1.974 -8.815 -5.052 1.00 0.00 O ATOM 110 CB LEU A 11 -1.189 -11.643 -3.806 1.00 0.00 C ATOM 111 CG LEU A 11 -1.261 -12.364 -5.147 1.00 0.00 C ATOM 112 CD1 LEU A 11 0.131 -12.769 -5.590 1.00 0.00 C ATOM 113 CD2 LEU A 11 -2.155 -13.593 -5.044 1.00 0.00 C ATOM 0 H LEU A 11 -3.422 -11.751 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.498 -10.651 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.232 -11.125 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.194 -12.393 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.688 -11.686 -5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.072 -13.284 -6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.753 -11.880 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.570 -13.435 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.195 -14.096 -6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.751 -14.275 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.160 -13.288 -4.751 1.00 0.00 H new ATOM 125 N PRO A 12 -1.365 -8.470 -2.909 1.00 0.00 N ATOM 126 CA PRO A 12 -0.975 -7.073 -3.086 1.00 0.00 C ATOM 127 C PRO A 12 0.308 -6.934 -3.884 1.00 0.00 C ATOM 128 O PRO A 12 1.016 -7.912 -4.127 1.00 0.00 O ATOM 129 CB PRO A 12 -0.757 -6.593 -1.654 1.00 0.00 C ATOM 130 CG PRO A 12 -0.324 -7.812 -0.936 1.00 0.00 C ATOM 131 CD PRO A 12 -1.126 -8.931 -1.533 1.00 0.00 C ATOM 0 HA PRO A 12 -1.722 -6.503 -3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.000 -5.810 -1.605 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.671 -6.180 -1.227 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.745 -7.984 -1.062 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.508 -7.724 0.135 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.580 -9.874 -1.513 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.059 -9.091 -0.993 1.00 0.00 H new ATOM 139 N ARG A 13 0.612 -5.715 -4.277 1.00 0.00 N ATOM 140 CA ARG A 13 1.799 -5.456 -5.056 1.00 0.00 C ATOM 141 C ARG A 13 2.585 -4.314 -4.434 1.00 0.00 C ATOM 142 O ARG A 13 2.007 -3.312 -4.011 1.00 0.00 O ATOM 143 CB ARG A 13 1.417 -5.107 -6.497 1.00 0.00 C ATOM 144 CG ARG A 13 2.588 -5.142 -7.465 1.00 0.00 C ATOM 145 CD ARG A 13 2.177 -4.680 -8.854 1.00 0.00 C ATOM 146 NE ARG A 13 0.978 -5.370 -9.336 1.00 0.00 N ATOM 147 CZ ARG A 13 0.840 -5.857 -10.570 1.00 0.00 C ATOM 148 NH1 ARG A 13 1.858 -5.835 -11.420 1.00 0.00 N ATOM 149 NH2 ARG A 13 -0.316 -6.390 -10.945 1.00 0.00 N ATOM 0 H ARG A 13 0.051 -4.889 -4.068 1.00 0.00 H new ATOM 0 HA ARG A 13 2.420 -6.352 -5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.653 -5.804 -6.840 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.972 -4.112 -6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.390 -4.505 -7.091 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.985 -6.155 -7.520 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.994 -3.606 -8.838 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.998 -4.853 -9.550 1.00 0.00 H new ATOM 0 HE ARG A 13 0.200 -5.485 -8.687 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.755 -5.444 -11.132 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.744 -6.209 -12.362 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.097 -6.427 -10.290 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.424 -6.763 -11.888 1.00 0.00 H new ATOM 163 N LEU A 14 3.895 -4.480 -4.351 1.00 0.00 N ATOM 164 CA LEU A 14 4.760 -3.400 -3.917 1.00 0.00 C ATOM 165 C LEU A 14 5.067 -2.517 -5.113 1.00 0.00 C ATOM 166 O LEU A 14 5.860 -2.879 -5.985 1.00 0.00 O ATOM 167 CB LEU A 14 6.051 -3.960 -3.314 1.00 0.00 C ATOM 168 CG LEU A 14 7.035 -2.916 -2.781 1.00 0.00 C ATOM 169 CD1 LEU A 14 6.432 -2.153 -1.610 1.00 0.00 C ATOM 170 CD2 LEU A 14 8.338 -3.583 -2.373 1.00 0.00 C ATOM 0 H LEU A 14 4.379 -5.349 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 14 4.261 -2.812 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.788 -4.635 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.557 -4.557 -4.073 1.00 0.00 H new ATOM 0 HG LEU A 14 7.245 -2.201 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.149 -1.417 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.524 -1.646 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.191 -2.850 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.030 -2.830 -1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.142 -4.319 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.779 -4.080 -3.237 1.00 0.00 H new ATOM 182 N CYS A 15 4.433 -1.364 -5.150 1.00 0.00 N ATOM 183 CA CYS A 15 4.513 -0.494 -6.302 1.00 0.00 C ATOM 184 C CYS A 15 5.601 0.548 -6.113 1.00 0.00 C ATOM 185 O CYS A 15 5.536 1.375 -5.203 1.00 0.00 O ATOM 186 CB CYS A 15 3.162 0.182 -6.530 1.00 0.00 C ATOM 187 SG CYS A 15 1.778 -0.977 -6.656 1.00 0.00 S ATOM 0 H CYS A 15 3.854 -1.007 -4.390 1.00 0.00 H new ATOM 0 HA CYS A 15 4.766 -1.092 -7.178 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.970 0.875 -5.711 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.212 0.774 -7.444 1.00 0.00 H new ATOM 0 HG CYS A 15 1.837 -1.831 -5.678 1.00 0.00 H new ATOM 193 N CYS A 16 6.619 0.487 -6.952 1.00 0.00 N ATOM 194 CA CYS A 16 7.677 1.476 -6.916 1.00 0.00 C ATOM 195 C CYS A 16 7.443 2.522 -7.997 1.00 0.00 C ATOM 196 O CYS A 16 7.567 2.238 -9.191 1.00 0.00 O ATOM 197 CB CYS A 16 9.038 0.803 -7.102 1.00 0.00 C ATOM 198 SG CYS A 16 9.145 -0.244 -8.574 1.00 0.00 S ATOM 0 H CYS A 16 6.734 -0.235 -7.664 1.00 0.00 H new ATOM 0 HA CYS A 16 7.671 1.970 -5.944 1.00 0.00 H new ATOM 0 HB2 CYS A 16 9.808 1.573 -7.159 1.00 0.00 H new ATOM 0 HB3 CYS A 16 9.256 0.198 -6.222 1.00 0.00 H new ATOM 0 HG CYS A 16 8.510 0.323 -9.557 1.00 0.00 H new ATOM 204 N LEU A 17 7.104 3.726 -7.574 1.00 0.00 N ATOM 205 CA LEU A 17 6.848 4.814 -8.503 1.00 0.00 C ATOM 206 C LEU A 17 7.946 5.854 -8.415 1.00 0.00 C ATOM 207 O LEU A 17 8.577 6.027 -7.369 1.00 0.00 O ATOM 208 CB LEU A 17 5.479 5.463 -8.264 1.00 0.00 C ATOM 209 CG LEU A 17 5.087 5.685 -6.806 1.00 0.00 C ATOM 210 CD1 LEU A 17 4.182 6.895 -6.691 1.00 0.00 C ATOM 211 CD2 LEU A 17 4.383 4.457 -6.255 1.00 0.00 C ATOM 0 H LEU A 17 6.999 3.977 -6.591 1.00 0.00 H new ATOM 0 HA LEU A 17 6.838 4.389 -9.507 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.462 6.426 -8.774 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.717 4.840 -8.733 1.00 0.00 H new ATOM 0 HG LEU A 17 5.992 5.860 -6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.907 7.046 -5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.705 7.777 -7.060 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.281 6.733 -7.284 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.110 4.631 -5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.484 4.261 -6.839 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.050 3.597 -6.316 1.00 0.00 H new ATOM 223 N GLU A 18 8.147 6.549 -9.517 1.00 0.00 N ATOM 224 CA GLU A 18 9.280 7.440 -9.678 1.00 0.00 C ATOM 225 C GLU A 18 8.846 8.887 -9.526 1.00 0.00 C ATOM 226 O GLU A 18 7.750 9.259 -9.937 1.00 0.00 O ATOM 227 CB GLU A 18 9.889 7.223 -11.061 1.00 0.00 C ATOM 228 CG GLU A 18 10.262 5.774 -11.327 1.00 0.00 C ATOM 229 CD GLU A 18 10.250 5.433 -12.800 1.00 0.00 C ATOM 230 OE1 GLU A 18 11.281 5.627 -13.471 1.00 0.00 O ATOM 231 OE2 GLU A 18 9.206 4.957 -13.293 1.00 0.00 O ATOM 0 H GLU A 18 7.529 6.512 -10.327 1.00 0.00 H new ATOM 0 HA GLU A 18 10.020 7.222 -8.908 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.180 7.555 -11.820 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.778 7.845 -11.162 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.254 5.577 -10.920 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.566 5.121 -10.801 1.00 0.00 H new ATOM 238 N LYS A 19 9.694 9.694 -8.916 1.00 0.00 N ATOM 239 CA LYS A 19 9.415 11.110 -8.777 1.00 0.00 C ATOM 240 C LYS A 19 9.577 11.805 -10.125 1.00 0.00 C ATOM 241 O LYS A 19 10.699 12.020 -10.588 1.00 0.00 O ATOM 242 CB LYS A 19 10.350 11.753 -7.754 1.00 0.00 C ATOM 243 CG LYS A 19 9.858 13.101 -7.255 1.00 0.00 C ATOM 244 CD LYS A 19 11.006 13.964 -6.760 1.00 0.00 C ATOM 245 CE LYS A 19 11.825 14.497 -7.923 1.00 0.00 C ATOM 246 NZ LYS A 19 13.026 15.243 -7.469 1.00 0.00 N ATOM 0 H LYS A 19 10.580 9.393 -8.510 1.00 0.00 H new ATOM 0 HA LYS A 19 8.389 11.223 -8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.467 11.080 -6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.336 11.877 -8.201 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.333 13.618 -8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.140 12.952 -6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.614 14.796 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.645 13.381 -6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.134 13.667 -8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.203 15.151 -8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.554 15.588 -8.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.732 16.051 -6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.634 14.613 -6.908 1.00 0.00 H new ATOM 260 N GLY A 20 8.464 12.146 -10.750 1.00 0.00 N ATOM 261 CA GLY A 20 8.502 12.785 -12.048 1.00 0.00 C ATOM 262 C GLY A 20 8.608 14.294 -11.950 1.00 0.00 C ATOM 263 O GLY A 20 9.168 14.819 -10.988 1.00 0.00 O ATOM 0 H GLY A 20 7.527 11.991 -10.379 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.351 12.401 -12.614 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.602 12.523 -12.605 1.00 0.00 H new ATOM 267 N PRO A 21 8.077 15.021 -12.943 1.00 0.00 N ATOM 268 CA PRO A 21 8.142 16.489 -12.980 1.00 0.00 C ATOM 269 C PRO A 21 7.230 17.140 -11.943 1.00 0.00 C ATOM 270 O PRO A 21 7.440 18.285 -11.535 1.00 0.00 O ATOM 271 CB PRO A 21 7.656 16.820 -14.393 1.00 0.00 C ATOM 272 CG PRO A 21 6.768 15.683 -14.763 1.00 0.00 C ATOM 273 CD PRO A 21 7.374 14.468 -14.119 1.00 0.00 C ATOM 0 HA PRO A 21 9.141 16.860 -12.752 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.117 17.767 -14.415 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.491 16.913 -15.087 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.751 15.849 -14.407 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.712 15.566 -15.845 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.612 13.745 -13.829 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.060 13.955 -14.793 1.00 0.00 H new ATOM 281 N ASN A 22 6.222 16.401 -11.517 1.00 0.00 N ATOM 282 CA ASN A 22 5.236 16.909 -10.575 1.00 0.00 C ATOM 283 C ASN A 22 5.151 16.004 -9.353 1.00 0.00 C ATOM 284 O ASN A 22 4.069 15.759 -8.812 1.00 0.00 O ATOM 285 CB ASN A 22 3.861 17.021 -11.248 1.00 0.00 C ATOM 286 CG ASN A 22 3.331 15.691 -11.769 1.00 0.00 C ATOM 287 OD1 ASN A 22 4.092 14.805 -12.166 1.00 0.00 O ATOM 288 ND2 ASN A 22 2.016 15.544 -11.772 1.00 0.00 N ATOM 0 H ASN A 22 6.062 15.437 -11.811 1.00 0.00 H new ATOM 0 HA ASN A 22 5.549 17.902 -10.252 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.148 17.433 -10.534 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.927 17.727 -12.076 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.601 14.676 -12.110 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.418 16.299 -11.436 1.00 0.00 H new ATOM 295 N GLY A 23 6.300 15.517 -8.914 1.00 0.00 N ATOM 296 CA GLY A 23 6.333 14.588 -7.808 1.00 0.00 C ATOM 297 C GLY A 23 5.856 13.215 -8.225 1.00 0.00 C ATOM 298 O GLY A 23 6.362 12.648 -9.189 1.00 0.00 O ATOM 0 H GLY A 23 7.213 15.750 -9.306 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.349 14.519 -7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.706 14.962 -6.998 1.00 0.00 H new ATOM 302 N TYR A 24 4.871 12.680 -7.524 1.00 0.00 N ATOM 303 CA TYR A 24 4.366 11.357 -7.849 1.00 0.00 C ATOM 304 C TYR A 24 2.949 11.427 -8.415 1.00 0.00 C ATOM 305 O TYR A 24 2.548 10.568 -9.197 1.00 0.00 O ATOM 306 CB TYR A 24 4.425 10.436 -6.633 1.00 0.00 C ATOM 307 CG TYR A 24 5.818 10.289 -6.057 1.00 0.00 C ATOM 308 CD1 TYR A 24 6.710 9.362 -6.581 1.00 0.00 C ATOM 309 CD2 TYR A 24 6.247 11.082 -4.997 1.00 0.00 C ATOM 310 CE1 TYR A 24 7.984 9.225 -6.066 1.00 0.00 C ATOM 311 CE2 TYR A 24 7.522 10.952 -4.478 1.00 0.00 C ATOM 312 CZ TYR A 24 8.386 10.022 -5.016 1.00 0.00 C ATOM 313 OH TYR A 24 9.656 9.886 -4.504 1.00 0.00 O ATOM 0 H TYR A 24 4.410 13.134 -6.736 1.00 0.00 H new ATOM 0 HA TYR A 24 5.010 10.937 -8.622 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.760 10.823 -5.861 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.050 9.452 -6.913 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.402 8.737 -7.406 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.573 11.811 -4.573 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.663 8.496 -6.484 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.839 11.576 -3.655 1.00 0.00 H new ATOM 0 HH TYR A 24 9.782 10.522 -3.769 1.00 0.00 H new ATOM 323 N GLY A 25 2.200 12.453 -8.018 1.00 0.00 N ATOM 324 CA GLY A 25 0.916 12.725 -8.644 1.00 0.00 C ATOM 325 C GLY A 25 -0.249 11.956 -8.041 1.00 0.00 C ATOM 326 O GLY A 25 -1.258 11.734 -8.711 1.00 0.00 O ATOM 0 H GLY A 25 2.459 13.101 -7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.708 13.793 -8.571 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.984 12.485 -9.705 1.00 0.00 H new ATOM 330 N PHE A 26 -0.136 11.565 -6.781 1.00 0.00 N ATOM 331 CA PHE A 26 -1.223 10.854 -6.123 1.00 0.00 C ATOM 332 C PHE A 26 -1.646 11.585 -4.851 1.00 0.00 C ATOM 333 O PHE A 26 -0.830 12.216 -4.181 1.00 0.00 O ATOM 334 CB PHE A 26 -0.829 9.400 -5.802 1.00 0.00 C ATOM 335 CG PHE A 26 0.168 9.252 -4.683 1.00 0.00 C ATOM 336 CD1 PHE A 26 1.520 9.441 -4.910 1.00 0.00 C ATOM 337 CD2 PHE A 26 -0.252 8.920 -3.402 1.00 0.00 C ATOM 338 CE1 PHE A 26 2.436 9.305 -3.883 1.00 0.00 C ATOM 339 CE2 PHE A 26 0.658 8.784 -2.373 1.00 0.00 C ATOM 340 CZ PHE A 26 2.004 8.976 -2.613 1.00 0.00 C ATOM 0 H PHE A 26 0.686 11.725 -6.199 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.069 10.827 -6.810 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.729 8.842 -5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.416 8.942 -6.701 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.864 9.698 -5.901 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.303 8.766 -3.208 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.488 9.456 -4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.317 8.528 -1.381 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.718 8.869 -1.809 1.00 0.00 H new ATOM 350 N HIS A 27 -2.931 11.515 -4.549 1.00 0.00 N ATOM 351 CA HIS A 27 -3.481 12.112 -3.341 1.00 0.00 C ATOM 352 C HIS A 27 -3.824 11.013 -2.351 1.00 0.00 C ATOM 353 O HIS A 27 -4.561 10.082 -2.680 1.00 0.00 O ATOM 354 CB HIS A 27 -4.736 12.943 -3.648 1.00 0.00 C ATOM 355 CG HIS A 27 -4.509 14.111 -4.564 1.00 0.00 C ATOM 356 ND1 HIS A 27 -4.964 15.380 -4.288 1.00 0.00 N ATOM 357 CD2 HIS A 27 -3.910 14.187 -5.776 1.00 0.00 C ATOM 358 CE1 HIS A 27 -4.658 16.182 -5.289 1.00 0.00 C ATOM 359 NE2 HIS A 27 -4.020 15.484 -6.208 1.00 0.00 N ATOM 0 H HIS A 27 -3.623 11.044 -5.132 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.732 12.780 -2.915 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.487 12.290 -4.094 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.150 13.311 -2.709 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.433 13.375 -6.305 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.891 17.235 -5.347 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.667 15.848 -7.093 1.00 0.00 H new ATOM 368 N LEU A 28 -3.287 11.118 -1.154 1.00 0.00 N ATOM 369 CA LEU A 28 -3.483 10.103 -0.133 1.00 0.00 C ATOM 370 C LEU A 28 -4.366 10.638 0.989 1.00 0.00 C ATOM 371 O LEU A 28 -4.086 11.694 1.551 1.00 0.00 O ATOM 372 CB LEU A 28 -2.127 9.682 0.436 1.00 0.00 C ATOM 373 CG LEU A 28 -2.165 8.560 1.475 1.00 0.00 C ATOM 374 CD1 LEU A 28 -2.413 7.219 0.806 1.00 0.00 C ATOM 375 CD2 LEU A 28 -0.872 8.532 2.271 1.00 0.00 C ATOM 0 H LEU A 28 -2.706 11.903 -0.859 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.975 9.241 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.489 9.367 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.656 10.555 0.888 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.988 8.754 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.436 6.434 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.368 7.246 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.613 7.014 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.915 7.728 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.033 8.362 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.739 9.485 2.783 1.00 0.00 H new ATOM 387 N HIS A 29 -5.426 9.916 1.321 1.00 0.00 N ATOM 388 CA HIS A 29 -6.264 10.309 2.444 1.00 0.00 C ATOM 389 C HIS A 29 -6.151 9.286 3.558 1.00 0.00 C ATOM 390 O HIS A 29 -6.221 8.078 3.328 1.00 0.00 O ATOM 391 CB HIS A 29 -7.742 10.516 2.047 1.00 0.00 C ATOM 392 CG HIS A 29 -8.518 9.258 1.775 1.00 0.00 C ATOM 393 ND1 HIS A 29 -9.606 8.853 2.522 1.00 0.00 N ATOM 394 CD2 HIS A 29 -8.373 8.335 0.807 1.00 0.00 C ATOM 395 CE1 HIS A 29 -10.095 7.739 2.012 1.00 0.00 C ATOM 396 NE2 HIS A 29 -9.365 7.404 0.967 1.00 0.00 N ATOM 0 H HIS A 29 -5.723 9.068 0.838 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.899 11.274 2.794 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.241 11.066 2.845 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.777 11.144 1.157 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -9.974 9.339 3.340 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.611 8.329 0.041 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -10.949 7.194 2.387 1.00 0.00 H new ATOM 405 N GLY A 30 -5.946 9.784 4.750 1.00 0.00 N ATOM 406 CA GLY A 30 -5.880 8.943 5.917 1.00 0.00 C ATOM 407 C GLY A 30 -7.061 9.213 6.811 1.00 0.00 C ATOM 408 O GLY A 30 -7.178 10.305 7.370 1.00 0.00 O ATOM 0 H GLY A 30 -5.821 10.779 4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.870 7.894 5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.953 9.130 6.459 1.00 0.00 H new ATOM 412 N GLU A 31 -7.943 8.234 6.921 1.00 0.00 N ATOM 413 CA GLU A 31 -9.187 8.401 7.649 1.00 0.00 C ATOM 414 C GLU A 31 -8.928 8.822 9.088 1.00 0.00 C ATOM 415 O GLU A 31 -8.095 8.239 9.783 1.00 0.00 O ATOM 416 CB GLU A 31 -9.993 7.110 7.594 1.00 0.00 C ATOM 417 CG GLU A 31 -10.407 6.722 6.185 1.00 0.00 C ATOM 418 CD GLU A 31 -11.321 7.746 5.552 1.00 0.00 C ATOM 419 OE1 GLU A 31 -10.816 8.712 4.943 1.00 0.00 O ATOM 420 OE2 GLU A 31 -12.555 7.585 5.662 1.00 0.00 O ATOM 0 H GLU A 31 -7.818 7.308 6.511 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.764 9.196 7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.403 6.302 8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.885 7.220 8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.517 6.602 5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.910 5.755 6.210 1.00 0.00 H new ATOM 427 N LYS A 32 -9.649 9.847 9.519 1.00 0.00 N ATOM 428 CA LYS A 32 -9.425 10.458 10.821 1.00 0.00 C ATOM 429 C LYS A 32 -9.870 9.521 11.935 1.00 0.00 C ATOM 430 O LYS A 32 -11.034 9.126 12.002 1.00 0.00 O ATOM 431 CB LYS A 32 -10.166 11.795 10.914 1.00 0.00 C ATOM 432 CG LYS A 32 -9.916 12.552 12.210 1.00 0.00 C ATOM 433 CD LYS A 32 -10.645 13.884 12.217 1.00 0.00 C ATOM 434 CE LYS A 32 -10.470 14.617 13.538 1.00 0.00 C ATOM 435 NZ LYS A 32 -10.874 13.776 14.695 1.00 0.00 N ATOM 0 H LYS A 32 -10.401 10.276 8.980 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.357 10.644 10.938 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.867 12.423 10.075 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.236 11.614 10.812 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.246 11.949 13.056 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.846 12.719 12.336 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.272 14.507 11.404 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.706 13.719 12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.428 14.916 13.652 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.064 15.531 13.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.322 14.374 15.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.549 13.051 14.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.034 13.314 15.098 1.00 0.00 H new ATOM 449 N GLY A 33 -8.931 9.149 12.795 1.00 0.00 N ATOM 450 CA GLY A 33 -9.229 8.220 13.866 1.00 0.00 C ATOM 451 C GLY A 33 -8.918 6.793 13.470 1.00 0.00 C ATOM 452 O GLY A 33 -8.469 5.989 14.289 1.00 0.00 O ATOM 0 H GLY A 33 -7.965 9.476 12.769 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.651 8.487 14.751 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.282 8.302 14.137 1.00 0.00 H new ATOM 456 N LYS A 34 -9.167 6.477 12.209 1.00 0.00 N ATOM 457 CA LYS A 34 -8.858 5.165 11.669 1.00 0.00 C ATOM 458 C LYS A 34 -7.356 5.055 11.426 1.00 0.00 C ATOM 459 O LYS A 34 -6.657 6.065 11.337 1.00 0.00 O ATOM 460 CB LYS A 34 -9.614 4.945 10.356 1.00 0.00 C ATOM 461 CG LYS A 34 -11.027 5.512 10.352 1.00 0.00 C ATOM 462 CD LYS A 34 -11.891 4.914 11.447 1.00 0.00 C ATOM 463 CE LYS A 34 -13.302 5.479 11.400 1.00 0.00 C ATOM 464 NZ LYS A 34 -14.179 4.873 12.432 1.00 0.00 N ATOM 0 H LYS A 34 -9.586 7.119 11.536 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.166 4.402 12.384 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.049 5.400 9.543 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.662 3.875 10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.982 6.594 10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.489 5.322 9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.926 3.830 11.336 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.445 5.121 12.420 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.265 6.559 11.545 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.730 5.304 10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.131 5.286 12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.236 3.846 12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.786 5.062 13.376 1.00 0.00 H new ATOM 478 N LEU A 35 -6.863 3.836 11.315 1.00 0.00 N ATOM 479 CA LEU A 35 -5.435 3.611 11.140 1.00 0.00 C ATOM 480 C LEU A 35 -5.086 3.324 9.684 1.00 0.00 C ATOM 481 O LEU A 35 -3.999 2.843 9.377 1.00 0.00 O ATOM 482 CB LEU A 35 -4.965 2.466 12.050 1.00 0.00 C ATOM 483 CG LEU A 35 -5.919 1.270 12.179 1.00 0.00 C ATOM 484 CD1 LEU A 35 -6.037 0.500 10.872 1.00 0.00 C ATOM 485 CD2 LEU A 35 -5.453 0.346 13.294 1.00 0.00 C ATOM 0 H LEU A 35 -7.426 2.986 11.342 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.912 4.524 11.424 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.008 2.102 11.677 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.786 2.871 13.046 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.908 1.659 12.423 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.721 -0.339 11.004 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.419 1.161 10.094 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.056 0.126 10.580 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.137 -0.499 13.376 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.451 -0.019 13.069 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.437 0.893 14.237 1.00 0.00 H new ATOM 497 N GLY A 36 -6.003 3.639 8.786 1.00 0.00 N ATOM 498 CA GLY A 36 -5.802 3.308 7.391 1.00 0.00 C ATOM 499 C GLY A 36 -5.590 4.520 6.506 1.00 0.00 C ATOM 500 O GLY A 36 -6.334 5.501 6.582 1.00 0.00 O ATOM 0 H GLY A 36 -6.880 4.116 8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.939 2.648 7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.667 2.751 7.030 1.00 0.00 H new ATOM 504 N GLN A 37 -4.563 4.452 5.670 1.00 0.00 N ATOM 505 CA GLN A 37 -4.358 5.435 4.619 1.00 0.00 C ATOM 506 C GLN A 37 -4.789 4.824 3.293 1.00 0.00 C ATOM 507 O GLN A 37 -4.510 3.657 3.029 1.00 0.00 O ATOM 508 CB GLN A 37 -2.886 5.866 4.521 1.00 0.00 C ATOM 509 CG GLN A 37 -2.421 6.861 5.578 1.00 0.00 C ATOM 510 CD GLN A 37 -2.340 6.279 6.977 1.00 0.00 C ATOM 511 OE1 GLN A 37 -1.337 5.679 7.348 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.371 6.497 7.778 1.00 0.00 N ATOM 0 H GLN A 37 -3.854 3.719 5.702 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.950 6.320 4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.260 4.976 4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.719 6.303 3.537 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.440 7.243 5.297 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.103 7.711 5.588 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.188 7.000 7.432 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.348 6.162 8.741 1.00 0.00 H new ATOM 521 N TYR A 38 -5.478 5.592 2.469 1.00 0.00 N ATOM 522 CA TYR A 38 -5.975 5.078 1.200 1.00 0.00 C ATOM 523 C TYR A 38 -5.663 6.052 0.074 1.00 0.00 C ATOM 524 O TYR A 38 -5.562 7.262 0.299 1.00 0.00 O ATOM 525 CB TYR A 38 -7.493 4.865 1.261 1.00 0.00 C ATOM 526 CG TYR A 38 -7.985 4.096 2.468 1.00 0.00 C ATOM 527 CD1 TYR A 38 -8.319 4.758 3.643 1.00 0.00 C ATOM 528 CD2 TYR A 38 -8.136 2.718 2.426 1.00 0.00 C ATOM 529 CE1 TYR A 38 -8.787 4.067 4.744 1.00 0.00 C ATOM 530 CE2 TYR A 38 -8.601 2.018 3.525 1.00 0.00 C ATOM 531 CZ TYR A 38 -8.928 2.699 4.680 1.00 0.00 C ATOM 532 OH TYR A 38 -9.394 2.011 5.776 1.00 0.00 O ATOM 0 H TYR A 38 -5.707 6.569 2.652 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.481 4.125 1.010 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.982 5.839 1.246 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.807 4.337 0.360 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.211 5.831 3.697 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.887 2.183 1.521 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.041 4.597 5.650 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.708 0.944 3.479 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.437 1.054 5.568 1.00 0.00 H new ATOM 542 N ILE A 39 -5.510 5.527 -1.135 1.00 0.00 N ATOM 543 CA ILE A 39 -5.329 6.368 -2.309 1.00 0.00 C ATOM 544 C ILE A 39 -6.641 7.073 -2.621 1.00 0.00 C ATOM 545 O ILE A 39 -7.651 6.420 -2.867 1.00 0.00 O ATOM 546 CB ILE A 39 -4.900 5.548 -3.546 1.00 0.00 C ATOM 547 CG1 ILE A 39 -3.656 4.709 -3.239 1.00 0.00 C ATOM 548 CG2 ILE A 39 -4.639 6.470 -4.733 1.00 0.00 C ATOM 549 CD1 ILE A 39 -2.404 5.530 -3.020 1.00 0.00 C ATOM 0 H ILE A 39 -5.508 4.525 -1.327 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.540 7.086 -2.087 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.714 4.870 -3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.845 4.108 -2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.485 4.015 -4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.338 5.876 -5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.548 7.022 -4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.844 7.172 -4.481 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.566 4.866 -2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.189 6.111 -3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.554 6.205 -2.178 1.00 0.00 H new ATOM 561 N ARG A 40 -6.635 8.395 -2.598 1.00 0.00 N ATOM 562 CA ARG A 40 -7.863 9.148 -2.790 1.00 0.00 C ATOM 563 C ARG A 40 -7.958 9.675 -4.217 1.00 0.00 C ATOM 564 O ARG A 40 -9.055 9.902 -4.727 1.00 0.00 O ATOM 565 CB ARG A 40 -7.962 10.297 -1.764 1.00 0.00 C ATOM 566 CG ARG A 40 -7.497 11.661 -2.252 1.00 0.00 C ATOM 567 CD ARG A 40 -8.658 12.641 -2.372 1.00 0.00 C ATOM 568 NE ARG A 40 -9.581 12.267 -3.441 1.00 0.00 N ATOM 569 CZ ARG A 40 -10.697 12.926 -3.741 1.00 0.00 C ATOM 570 NH1 ARG A 40 -11.103 13.947 -2.995 1.00 0.00 N ATOM 571 NH2 ARG A 40 -11.419 12.546 -4.782 1.00 0.00 N ATOM 0 H ARG A 40 -5.802 8.965 -2.450 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.706 8.477 -2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.999 10.382 -1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.375 10.027 -0.886 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.753 12.060 -1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.009 11.554 -3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.197 12.682 -1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.270 13.642 -2.562 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.354 11.442 -3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.557 14.233 -2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.960 14.445 -3.235 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.119 11.753 -5.348 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.276 13.046 -5.018 1.00 0.00 H new ATOM 585 N LEU A 41 -6.814 9.863 -4.864 1.00 0.00 N ATOM 586 CA LEU A 41 -6.795 10.444 -6.200 1.00 0.00 C ATOM 587 C LEU A 41 -5.444 10.209 -6.866 1.00 0.00 C ATOM 588 O LEU A 41 -4.417 10.171 -6.200 1.00 0.00 O ATOM 589 CB LEU A 41 -7.109 11.950 -6.100 1.00 0.00 C ATOM 590 CG LEU A 41 -7.554 12.661 -7.387 1.00 0.00 C ATOM 591 CD1 LEU A 41 -6.368 13.009 -8.272 1.00 0.00 C ATOM 592 CD2 LEU A 41 -8.566 11.812 -8.144 1.00 0.00 C ATOM 0 H LEU A 41 -5.896 9.624 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.554 9.963 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.891 12.083 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.220 12.456 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.033 13.597 -7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.721 13.511 -9.173 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.691 13.670 -7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.840 12.096 -8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.870 12.332 -9.053 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.114 10.855 -8.407 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.440 11.640 -7.515 1.00 0.00 H new ATOM 604 N VAL A 42 -5.470 10.022 -8.173 1.00 0.00 N ATOM 605 CA VAL A 42 -4.265 9.973 -8.984 1.00 0.00 C ATOM 606 C VAL A 42 -4.463 10.864 -10.204 1.00 0.00 C ATOM 607 O VAL A 42 -5.520 10.815 -10.830 1.00 0.00 O ATOM 608 CB VAL A 42 -3.908 8.533 -9.426 1.00 0.00 C ATOM 609 CG1 VAL A 42 -2.984 7.868 -8.423 1.00 0.00 C ATOM 610 CG2 VAL A 42 -5.153 7.685 -9.617 1.00 0.00 C ATOM 0 H VAL A 42 -6.331 9.899 -8.705 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.431 10.330 -8.379 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.393 8.611 -10.383 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.750 6.858 -8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.063 8.445 -8.338 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.475 7.823 -7.451 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.865 6.681 -9.927 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.704 7.631 -8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.785 8.134 -10.383 1.00 0.00 H new ATOM 620 N GLU A 43 -3.474 11.702 -10.503 1.00 0.00 N ATOM 621 CA GLU A 43 -3.580 12.688 -11.582 1.00 0.00 C ATOM 622 C GLU A 43 -3.359 12.027 -12.943 1.00 0.00 C ATOM 623 O GLU A 43 -2.221 11.880 -13.366 1.00 0.00 O ATOM 624 CB GLU A 43 -2.535 13.794 -11.382 1.00 0.00 C ATOM 625 CG GLU A 43 -2.566 14.447 -10.004 1.00 0.00 C ATOM 626 CD GLU A 43 -3.751 15.370 -9.799 1.00 0.00 C ATOM 627 OE1 GLU A 43 -4.617 15.455 -10.692 1.00 0.00 O ATOM 628 OE2 GLU A 43 -3.808 16.038 -8.744 1.00 0.00 O ATOM 0 H GLU A 43 -2.581 11.720 -10.010 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.582 13.117 -11.556 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.543 13.375 -11.550 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.688 14.563 -12.139 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.586 13.668 -9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.646 15.012 -9.858 1.00 0.00 H new ATOM 635 N PRO A 44 -4.450 11.693 -13.665 1.00 0.00 N ATOM 636 CA PRO A 44 -4.426 10.843 -14.863 1.00 0.00 C ATOM 637 C PRO A 44 -3.180 11.009 -15.725 1.00 0.00 C ATOM 638 O PRO A 44 -3.092 11.903 -16.571 1.00 0.00 O ATOM 639 CB PRO A 44 -5.661 11.272 -15.646 1.00 0.00 C ATOM 640 CG PRO A 44 -6.484 12.110 -14.726 1.00 0.00 C ATOM 641 CD PRO A 44 -5.807 12.150 -13.385 1.00 0.00 C ATOM 0 HA PRO A 44 -4.416 9.791 -14.577 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.379 11.836 -16.535 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.225 10.403 -15.986 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.592 13.118 -15.126 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.488 11.695 -14.632 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.811 13.156 -12.965 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.307 11.502 -12.665 1.00 0.00 H new ATOM 649 N GLY A 45 -2.221 10.147 -15.471 1.00 0.00 N ATOM 650 CA GLY A 45 -0.995 10.124 -16.241 1.00 0.00 C ATOM 651 C GLY A 45 0.244 10.295 -15.378 1.00 0.00 C ATOM 652 O GLY A 45 1.276 10.761 -15.861 1.00 0.00 O ATOM 0 H GLY A 45 -2.267 9.447 -14.731 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.928 9.180 -16.782 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.025 10.918 -16.988 1.00 0.00 H new ATOM 656 N SER A 46 0.151 9.934 -14.102 1.00 0.00 N ATOM 657 CA SER A 46 1.298 10.026 -13.206 1.00 0.00 C ATOM 658 C SER A 46 2.004 8.683 -13.118 1.00 0.00 C ATOM 659 O SER A 46 1.437 7.647 -13.479 1.00 0.00 O ATOM 660 CB SER A 46 0.860 10.432 -11.800 1.00 0.00 C ATOM 661 OG SER A 46 -0.264 11.270 -11.837 1.00 0.00 O ATOM 0 H SER A 46 -0.700 9.578 -13.668 1.00 0.00 H new ATOM 0 HA SER A 46 1.973 10.781 -13.609 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.632 9.540 -11.216 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.680 10.942 -11.295 1.00 0.00 H new ATOM 0 HG SER A 46 -0.599 11.327 -12.756 1.00 0.00 H new ATOM 667 N PRO A 47 3.252 8.680 -12.629 1.00 0.00 N ATOM 668 CA PRO A 47 3.975 7.444 -12.341 1.00 0.00 C ATOM 669 C PRO A 47 3.303 6.644 -11.232 1.00 0.00 C ATOM 670 O PRO A 47 3.555 5.451 -11.077 1.00 0.00 O ATOM 671 CB PRO A 47 5.363 7.922 -11.908 1.00 0.00 C ATOM 672 CG PRO A 47 5.168 9.338 -11.484 1.00 0.00 C ATOM 673 CD PRO A 47 4.066 9.874 -12.347 1.00 0.00 C ATOM 0 HA PRO A 47 4.006 6.775 -13.201 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.752 7.315 -11.090 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.079 7.850 -12.727 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.902 9.397 -10.429 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.083 9.915 -11.615 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.489 10.643 -11.833 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.453 10.324 -13.262 1.00 0.00 H new ATOM 681 N ALA A 48 2.435 7.305 -10.474 1.00 0.00 N ATOM 682 CA ALA A 48 1.669 6.636 -9.440 1.00 0.00 C ATOM 683 C ALA A 48 0.746 5.594 -10.060 1.00 0.00 C ATOM 684 O ALA A 48 0.722 4.439 -9.634 1.00 0.00 O ATOM 685 CB ALA A 48 0.868 7.648 -8.635 1.00 0.00 C ATOM 0 H ALA A 48 2.247 8.304 -10.560 1.00 0.00 H new ATOM 0 HA ALA A 48 2.359 6.130 -8.765 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.299 7.130 -7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.547 8.361 -8.168 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.183 8.179 -9.296 1.00 0.00 H new ATOM 691 N GLU A 49 0.008 5.990 -11.094 1.00 0.00 N ATOM 692 CA GLU A 49 -0.859 5.052 -11.798 1.00 0.00 C ATOM 693 C GLU A 49 -0.015 4.002 -12.502 1.00 0.00 C ATOM 694 O GLU A 49 -0.363 2.821 -12.530 1.00 0.00 O ATOM 695 CB GLU A 49 -1.740 5.753 -12.836 1.00 0.00 C ATOM 696 CG GLU A 49 -2.639 6.840 -12.283 1.00 0.00 C ATOM 697 CD GLU A 49 -1.945 8.173 -12.196 1.00 0.00 C ATOM 698 OE1 GLU A 49 -1.193 8.399 -11.233 1.00 0.00 O ATOM 699 OE2 GLU A 49 -2.138 8.992 -13.112 1.00 0.00 O ATOM 0 H GLU A 49 -0.007 6.942 -11.459 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.508 4.589 -11.055 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.097 6.188 -13.601 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.361 5.005 -13.329 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.521 6.934 -12.916 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.987 6.550 -11.292 1.00 0.00 H new ATOM 706 N LYS A 50 1.106 4.450 -13.053 1.00 0.00 N ATOM 707 CA LYS A 50 2.023 3.577 -13.779 1.00 0.00 C ATOM 708 C LYS A 50 2.597 2.494 -12.869 1.00 0.00 C ATOM 709 O LYS A 50 2.870 1.379 -13.315 1.00 0.00 O ATOM 710 CB LYS A 50 3.157 4.399 -14.394 1.00 0.00 C ATOM 711 CG LYS A 50 2.674 5.479 -15.350 1.00 0.00 C ATOM 712 CD LYS A 50 3.820 6.346 -15.848 1.00 0.00 C ATOM 713 CE LYS A 50 4.821 5.549 -16.667 1.00 0.00 C ATOM 714 NZ LYS A 50 4.233 5.038 -17.934 1.00 0.00 N ATOM 0 H LYS A 50 1.405 5.424 -13.010 1.00 0.00 H new ATOM 0 HA LYS A 50 1.461 3.087 -14.574 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.733 4.864 -13.594 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.833 3.730 -14.926 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.173 5.015 -16.200 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.936 6.105 -14.848 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.422 7.160 -16.454 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.327 6.800 -14.997 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.682 6.177 -16.896 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.187 4.710 -16.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.988 4.650 -18.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.542 4.291 -17.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.757 5.816 -18.435 1.00 0.00 H new ATOM 728 N ALA A 51 2.771 2.823 -11.592 1.00 0.00 N ATOM 729 CA ALA A 51 3.294 1.868 -10.624 1.00 0.00 C ATOM 730 C ALA A 51 2.209 0.904 -10.167 1.00 0.00 C ATOM 731 O ALA A 51 2.502 -0.178 -9.662 1.00 0.00 O ATOM 732 CB ALA A 51 3.880 2.597 -9.430 1.00 0.00 C ATOM 0 H ALA A 51 2.557 3.742 -11.205 1.00 0.00 H new ATOM 0 HA ALA A 51 4.081 1.291 -11.110 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.267 1.871 -8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.690 3.247 -9.762 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.105 3.198 -8.954 1.00 0.00 H new ATOM 738 N GLY A 52 0.960 1.296 -10.372 1.00 0.00 N ATOM 739 CA GLY A 52 -0.155 0.451 -9.995 1.00 0.00 C ATOM 740 C GLY A 52 -0.922 0.987 -8.803 1.00 0.00 C ATOM 741 O GLY A 52 -1.326 0.224 -7.928 1.00 0.00 O ATOM 0 H GLY A 52 0.698 2.187 -10.794 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.833 0.352 -10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.214 -0.548 -9.764 1.00 0.00 H new ATOM 745 N LEU A 53 -1.114 2.300 -8.757 1.00 0.00 N ATOM 746 CA LEU A 53 -1.906 2.917 -7.702 1.00 0.00 C ATOM 747 C LEU A 53 -3.266 3.320 -8.245 1.00 0.00 C ATOM 748 O LEU A 53 -3.365 3.884 -9.336 1.00 0.00 O ATOM 749 CB LEU A 53 -1.199 4.148 -7.117 1.00 0.00 C ATOM 750 CG LEU A 53 -0.116 3.872 -6.065 1.00 0.00 C ATOM 751 CD1 LEU A 53 1.041 3.085 -6.657 1.00 0.00 C ATOM 752 CD2 LEU A 53 0.384 5.181 -5.476 1.00 0.00 C ATOM 0 H LEU A 53 -0.732 2.957 -9.438 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.030 2.185 -6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.746 4.705 -7.937 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.953 4.796 -6.670 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.560 3.269 -5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.791 2.906 -5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.676 2.131 -7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.488 3.653 -7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.152 4.975 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.805 5.800 -6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.446 5.709 -5.006 1.00 0.00 H new ATOM 764 N LEU A 54 -4.313 3.011 -7.502 1.00 0.00 N ATOM 765 CA LEU A 54 -5.656 3.378 -7.904 1.00 0.00 C ATOM 766 C LEU A 54 -6.426 3.898 -6.698 1.00 0.00 C ATOM 767 O LEU A 54 -6.296 3.371 -5.593 1.00 0.00 O ATOM 768 CB LEU A 54 -6.355 2.164 -8.538 1.00 0.00 C ATOM 769 CG LEU A 54 -7.644 2.457 -9.319 1.00 0.00 C ATOM 770 CD1 LEU A 54 -7.881 1.375 -10.357 1.00 0.00 C ATOM 771 CD2 LEU A 54 -8.845 2.548 -8.391 1.00 0.00 C ATOM 0 H LEU A 54 -4.258 2.507 -6.617 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.618 4.173 -8.649 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.650 1.675 -9.211 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.588 1.451 -7.747 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.523 3.420 -9.816 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.798 1.592 -10.906 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.041 1.346 -11.051 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.975 0.409 -9.861 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.741 2.756 -8.975 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.968 1.603 -7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.688 3.350 -7.670 1.00 0.00 H new ATOM 783 N ALA A 55 -7.185 4.971 -6.914 1.00 0.00 N ATOM 784 CA ALA A 55 -8.008 5.570 -5.866 1.00 0.00 C ATOM 785 C ALA A 55 -8.954 4.545 -5.246 1.00 0.00 C ATOM 786 O ALA A 55 -9.999 4.226 -5.811 1.00 0.00 O ATOM 787 CB ALA A 55 -8.794 6.746 -6.429 1.00 0.00 C ATOM 0 H ALA A 55 -7.247 5.447 -7.814 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.345 5.928 -5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.405 7.186 -5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.102 7.495 -6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.439 6.399 -7.237 1.00 0.00 H new ATOM 793 N GLY A 56 -8.569 4.024 -4.089 1.00 0.00 N ATOM 794 CA GLY A 56 -9.374 3.031 -3.415 1.00 0.00 C ATOM 795 C GLY A 56 -8.528 2.006 -2.694 1.00 0.00 C ATOM 796 O GLY A 56 -8.978 1.384 -1.734 1.00 0.00 O ATOM 0 H GLY A 56 -7.707 4.275 -3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.033 3.524 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.011 2.528 -4.142 1.00 0.00 H new ATOM 800 N ASP A 57 -7.297 1.824 -3.158 1.00 0.00 N ATOM 801 CA ASP A 57 -6.382 0.860 -2.549 1.00 0.00 C ATOM 802 C ASP A 57 -5.918 1.342 -1.178 1.00 0.00 C ATOM 803 O ASP A 57 -5.683 2.539 -0.977 1.00 0.00 O ATOM 804 CB ASP A 57 -5.164 0.610 -3.446 1.00 0.00 C ATOM 805 CG ASP A 57 -5.525 -0.056 -4.760 1.00 0.00 C ATOM 806 OD1 ASP A 57 -6.194 -1.114 -4.733 1.00 0.00 O ATOM 807 OD2 ASP A 57 -5.130 0.469 -5.822 1.00 0.00 O ATOM 0 H ASP A 57 -6.908 2.330 -3.953 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.927 -0.076 -2.430 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.668 1.559 -3.650 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.448 -0.015 -2.912 1.00 0.00 H new ATOM 812 N ARG A 58 -5.794 0.409 -0.237 1.00 0.00 N ATOM 813 CA ARG A 58 -5.318 0.731 1.100 1.00 0.00 C ATOM 814 C ARG A 58 -3.804 0.640 1.154 1.00 0.00 C ATOM 815 O ARG A 58 -3.211 -0.321 0.660 1.00 0.00 O ATOM 816 CB ARG A 58 -5.903 -0.211 2.161 1.00 0.00 C ATOM 817 CG ARG A 58 -5.362 0.082 3.555 1.00 0.00 C ATOM 818 CD ARG A 58 -5.732 -0.986 4.574 1.00 0.00 C ATOM 819 NE ARG A 58 -5.106 -0.711 5.869 1.00 0.00 N ATOM 820 CZ ARG A 58 -5.211 -1.496 6.943 1.00 0.00 C ATOM 821 NH1 ARG A 58 -5.884 -2.630 6.888 1.00 0.00 N ATOM 822 NH2 ARG A 58 -4.627 -1.148 8.082 1.00 0.00 N ATOM 0 H ARG A 58 -6.018 -0.576 -0.379 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.646 1.747 1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.989 -0.117 2.168 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.674 -1.243 1.894 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.277 0.169 3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.744 1.046 3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.815 -1.024 4.690 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.415 -1.964 4.213 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.551 0.140 5.956 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.332 -2.916 6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.956 -3.221 7.716 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.096 -0.279 8.138 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.709 -1.750 8.902 1.00 0.00 H new ATOM 836 N LEU A 59 -3.196 1.638 1.763 1.00 0.00 N ATOM 837 CA LEU A 59 -1.758 1.673 1.953 1.00 0.00 C ATOM 838 C LEU A 59 -1.361 0.713 3.072 1.00 0.00 C ATOM 839 O LEU A 59 -1.889 0.792 4.183 1.00 0.00 O ATOM 840 CB LEU A 59 -1.322 3.098 2.300 1.00 0.00 C ATOM 841 CG LEU A 59 -0.079 3.609 1.573 1.00 0.00 C ATOM 842 CD1 LEU A 59 0.355 4.948 2.142 1.00 0.00 C ATOM 843 CD2 LEU A 59 1.048 2.597 1.636 1.00 0.00 C ATOM 0 H LEU A 59 -3.685 2.449 2.141 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.263 1.364 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.150 3.774 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.139 3.151 3.373 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.333 3.750 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.242 5.298 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.450 5.673 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.585 4.836 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.919 2.989 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.308 2.407 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.729 1.667 1.166 1.00 0.00 H new ATOM 855 N VAL A 60 -0.454 -0.202 2.765 1.00 0.00 N ATOM 856 CA VAL A 60 0.015 -1.180 3.739 1.00 0.00 C ATOM 857 C VAL A 60 1.418 -0.837 4.228 1.00 0.00 C ATOM 858 O VAL A 60 1.704 -0.903 5.423 1.00 0.00 O ATOM 859 CB VAL A 60 0.022 -2.604 3.147 1.00 0.00 C ATOM 860 CG1 VAL A 60 0.421 -3.621 4.204 1.00 0.00 C ATOM 861 CG2 VAL A 60 -1.339 -2.942 2.562 1.00 0.00 C ATOM 0 H VAL A 60 -0.025 -0.289 1.844 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.678 -1.148 4.580 1.00 0.00 H new ATOM 0 HB VAL A 60 0.759 -2.641 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.420 -4.620 3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.419 -3.388 4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.290 -3.586 5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.317 -3.950 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.095 -2.887 3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.582 -2.231 1.772 1.00 0.00 H new ATOM 871 N GLU A 61 2.295 -0.462 3.305 1.00 0.00 N ATOM 872 CA GLU A 61 3.671 -0.139 3.654 1.00 0.00 C ATOM 873 C GLU A 61 4.203 0.990 2.774 1.00 0.00 C ATOM 874 O GLU A 61 3.793 1.140 1.621 1.00 0.00 O ATOM 875 CB GLU A 61 4.528 -1.405 3.512 1.00 0.00 C ATOM 876 CG GLU A 61 6.025 -1.200 3.692 1.00 0.00 C ATOM 877 CD GLU A 61 6.808 -1.324 2.399 1.00 0.00 C ATOM 878 OE1 GLU A 61 6.986 -0.302 1.707 1.00 0.00 O ATOM 879 OE2 GLU A 61 7.280 -2.440 2.096 1.00 0.00 O ATOM 0 H GLU A 61 2.078 -0.374 2.312 1.00 0.00 H new ATOM 0 HA GLU A 61 3.715 0.210 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.188 -2.138 4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.353 -1.834 2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.200 -0.214 4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.401 -1.931 4.408 1.00 0.00 H new ATOM 886 N VAL A 62 5.124 1.769 3.330 1.00 0.00 N ATOM 887 CA VAL A 62 5.741 2.878 2.620 1.00 0.00 C ATOM 888 C VAL A 62 7.246 2.850 2.818 1.00 0.00 C ATOM 889 O VAL A 62 7.739 3.064 3.927 1.00 0.00 O ATOM 890 CB VAL A 62 5.219 4.251 3.101 1.00 0.00 C ATOM 891 CG1 VAL A 62 5.892 5.380 2.334 1.00 0.00 C ATOM 892 CG2 VAL A 62 3.713 4.342 2.958 1.00 0.00 C ATOM 0 H VAL A 62 5.462 1.648 4.285 1.00 0.00 H new ATOM 0 HA VAL A 62 5.482 2.757 1.568 1.00 0.00 H new ATOM 0 HB VAL A 62 5.467 4.351 4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.511 6.338 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.969 5.337 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.679 5.275 1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.373 5.318 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.438 4.212 1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.243 3.561 3.556 1.00 0.00 H new ATOM 902 N ASN A 63 7.959 2.563 1.739 1.00 0.00 N ATOM 903 CA ASN A 63 9.420 2.600 1.717 1.00 0.00 C ATOM 904 C ASN A 63 10.007 1.605 2.726 1.00 0.00 C ATOM 905 O ASN A 63 10.998 1.881 3.401 1.00 0.00 O ATOM 906 CB ASN A 63 9.920 4.032 1.996 1.00 0.00 C ATOM 907 CG ASN A 63 11.391 4.240 1.657 1.00 0.00 C ATOM 908 OD1 ASN A 63 12.272 4.090 2.504 1.00 0.00 O ATOM 909 ND2 ASN A 63 11.669 4.607 0.414 1.00 0.00 N ATOM 0 H ASN A 63 7.541 2.296 0.848 1.00 0.00 H new ATOM 0 HA ASN A 63 9.760 2.304 0.725 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.320 4.736 1.420 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.762 4.265 3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.636 4.774 0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.916 4.723 -0.264 1.00 0.00 H new ATOM 916 N GLY A 64 9.374 0.446 2.831 1.00 0.00 N ATOM 917 CA GLY A 64 9.863 -0.591 3.720 1.00 0.00 C ATOM 918 C GLY A 64 9.378 -0.424 5.146 1.00 0.00 C ATOM 919 O GLY A 64 9.840 -1.125 6.050 1.00 0.00 O ATOM 0 H GLY A 64 8.528 0.203 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.544 -1.564 3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.953 -0.587 3.710 1.00 0.00 H new ATOM 923 N GLU A 65 8.441 0.490 5.356 1.00 0.00 N ATOM 924 CA GLU A 65 7.917 0.749 6.684 1.00 0.00 C ATOM 925 C GLU A 65 6.417 0.500 6.690 1.00 0.00 C ATOM 926 O GLU A 65 5.693 1.059 5.869 1.00 0.00 O ATOM 927 CB GLU A 65 8.207 2.198 7.081 1.00 0.00 C ATOM 928 CG GLU A 65 7.705 2.570 8.463 1.00 0.00 C ATOM 929 CD GLU A 65 8.573 2.018 9.566 1.00 0.00 C ATOM 930 OE1 GLU A 65 9.530 2.711 9.974 1.00 0.00 O ATOM 931 OE2 GLU A 65 8.298 0.897 10.039 1.00 0.00 O ATOM 0 H GLU A 65 8.029 1.064 4.620 1.00 0.00 H new ATOM 0 HA GLU A 65 8.397 0.083 7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.283 2.367 7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.750 2.863 6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.662 3.656 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.687 2.200 8.587 1.00 0.00 H new ATOM 938 N ASN A 66 5.954 -0.322 7.616 1.00 0.00 N ATOM 939 CA ASN A 66 4.546 -0.695 7.667 1.00 0.00 C ATOM 940 C ASN A 66 3.689 0.490 8.091 1.00 0.00 C ATOM 941 O ASN A 66 3.980 1.142 9.094 1.00 0.00 O ATOM 942 CB ASN A 66 4.343 -1.862 8.629 1.00 0.00 C ATOM 943 CG ASN A 66 2.923 -2.380 8.608 1.00 0.00 C ATOM 944 OD1 ASN A 66 2.082 -1.964 9.406 1.00 0.00 O ATOM 945 ND2 ASN A 66 2.647 -3.276 7.674 1.00 0.00 N ATOM 0 H ASN A 66 6.530 -0.745 8.344 1.00 0.00 H new ATOM 0 HA ASN A 66 4.237 -1.003 6.668 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.026 -2.670 8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.597 -1.545 9.640 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.703 -3.653 7.592 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.378 -3.589 7.036 1.00 0.00 H new ATOM 952 N VAL A 67 2.643 0.771 7.322 1.00 0.00 N ATOM 953 CA VAL A 67 1.768 1.902 7.613 1.00 0.00 C ATOM 954 C VAL A 67 0.320 1.448 7.831 1.00 0.00 C ATOM 955 O VAL A 67 -0.627 2.185 7.563 1.00 0.00 O ATOM 956 CB VAL A 67 1.837 2.983 6.503 1.00 0.00 C ATOM 957 CG1 VAL A 67 3.272 3.450 6.313 1.00 0.00 C ATOM 958 CG2 VAL A 67 1.260 2.487 5.179 1.00 0.00 C ATOM 0 H VAL A 67 2.380 0.234 6.495 1.00 0.00 H new ATOM 0 HA VAL A 67 2.128 2.350 8.539 1.00 0.00 H new ATOM 0 HB VAL A 67 1.224 3.824 6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.307 4.209 5.531 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.644 3.873 7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.895 2.603 6.025 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.330 3.278 4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.823 1.617 4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.215 2.211 5.318 1.00 0.00 H new ATOM 968 N GLU A 68 0.162 0.237 8.357 1.00 0.00 N ATOM 969 CA GLU A 68 -1.162 -0.329 8.612 1.00 0.00 C ATOM 970 C GLU A 68 -1.871 0.353 9.778 1.00 0.00 C ATOM 971 O GLU A 68 -3.088 0.255 9.907 1.00 0.00 O ATOM 972 CB GLU A 68 -1.051 -1.819 8.918 1.00 0.00 C ATOM 973 CG GLU A 68 -0.808 -2.687 7.699 1.00 0.00 C ATOM 974 CD GLU A 68 -0.489 -4.118 8.071 1.00 0.00 C ATOM 975 OE1 GLU A 68 -0.985 -4.601 9.113 1.00 0.00 O ATOM 976 OE2 GLU A 68 0.271 -4.765 7.331 1.00 0.00 O ATOM 0 H GLU A 68 0.936 -0.374 8.616 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.749 -0.166 7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.238 -1.973 9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.968 -2.147 9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.691 -2.668 7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.016 -2.272 7.118 1.00 0.00 H new ATOM 983 N LYS A 69 -1.111 1.010 10.638 1.00 0.00 N ATOM 984 CA LYS A 69 -1.660 1.605 11.852 1.00 0.00 C ATOM 985 C LYS A 69 -1.213 3.049 11.973 1.00 0.00 C ATOM 986 O LYS A 69 -1.291 3.660 13.043 1.00 0.00 O ATOM 987 CB LYS A 69 -1.167 0.815 13.058 1.00 0.00 C ATOM 988 CG LYS A 69 -1.404 -0.677 12.927 1.00 0.00 C ATOM 989 CD LYS A 69 -0.267 -1.489 13.525 1.00 0.00 C ATOM 990 CE LYS A 69 0.951 -1.520 12.602 1.00 0.00 C ATOM 991 NZ LYS A 69 1.674 -0.216 12.543 1.00 0.00 N ATOM 0 H LYS A 69 -0.107 1.147 10.520 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.749 1.577 11.809 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.101 0.997 13.194 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.669 1.180 13.954 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.338 -0.941 13.423 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.519 -0.935 11.874 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.017 -1.064 14.488 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.607 -2.507 13.714 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.638 -2.294 12.943 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.631 -1.797 11.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.670 -0.382 12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.235 0.392 11.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.621 0.253 13.470 1.00 0.00 H new ATOM 1005 N GLU A 70 -0.746 3.584 10.865 1.00 0.00 N ATOM 1006 CA GLU A 70 -0.071 4.865 10.859 1.00 0.00 C ATOM 1007 C GLU A 70 -1.032 5.996 10.508 1.00 0.00 C ATOM 1008 O GLU A 70 -2.245 5.790 10.392 1.00 0.00 O ATOM 1009 CB GLU A 70 1.095 4.802 9.873 1.00 0.00 C ATOM 1010 CG GLU A 70 2.347 4.113 10.421 1.00 0.00 C ATOM 1011 CD GLU A 70 2.068 2.877 11.265 1.00 0.00 C ATOM 1012 OE1 GLU A 70 1.568 1.867 10.727 1.00 0.00 O ATOM 1013 OE2 GLU A 70 2.365 2.912 12.476 1.00 0.00 O ATOM 0 H GLU A 70 -0.823 3.146 9.947 1.00 0.00 H new ATOM 0 HA GLU A 70 0.311 5.076 11.858 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.769 4.276 8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.356 5.816 9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.986 3.830 9.585 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.907 4.829 11.022 1.00 0.00 H new ATOM 1020 N THR A 71 -0.488 7.195 10.364 1.00 0.00 N ATOM 1021 CA THR A 71 -1.296 8.371 10.099 1.00 0.00 C ATOM 1022 C THR A 71 -0.904 9.011 8.774 1.00 0.00 C ATOM 1023 O THR A 71 0.140 8.676 8.209 1.00 0.00 O ATOM 1024 CB THR A 71 -1.149 9.418 11.219 1.00 0.00 C ATOM 1025 OG1 THR A 71 0.162 9.990 11.197 1.00 0.00 O ATOM 1026 CG2 THR A 71 -1.415 8.799 12.581 1.00 0.00 C ATOM 0 H THR A 71 0.514 7.377 10.427 1.00 0.00 H new ATOM 0 HA THR A 71 -2.334 8.040 10.054 1.00 0.00 H new ATOM 0 HB THR A 71 -1.886 10.202 11.044 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.093 10.964 11.116 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.305 9.559 13.354 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.429 8.399 12.607 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.703 7.994 12.760 1.00 0.00 H new ATOM 1034 N HIS A 72 -1.729 9.928 8.281 1.00 0.00 N ATOM 1035 CA HIS A 72 -1.436 10.625 7.035 1.00 0.00 C ATOM 1036 C HIS A 72 -0.097 11.355 7.127 1.00 0.00 C ATOM 1037 O HIS A 72 0.756 11.201 6.254 1.00 0.00 O ATOM 1038 CB HIS A 72 -2.575 11.603 6.706 1.00 0.00 C ATOM 1039 CG HIS A 72 -2.295 12.528 5.555 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -2.644 12.245 4.254 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -1.708 13.750 5.525 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -2.279 13.247 3.475 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -1.711 14.172 4.222 1.00 0.00 N ATOM 0 H HIS A 72 -2.605 10.205 8.725 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.360 9.894 6.230 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.475 11.030 6.483 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.789 12.201 7.592 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.312 14.290 6.372 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.422 13.299 2.406 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.335 15.058 3.885 1.00 0.00 H new ATOM 1052 N GLN A 73 0.098 12.101 8.210 1.00 0.00 N ATOM 1053 CA GLN A 73 1.334 12.856 8.417 1.00 0.00 C ATOM 1054 C GLN A 73 2.515 11.905 8.525 1.00 0.00 C ATOM 1055 O GLN A 73 3.590 12.139 7.970 1.00 0.00 O ATOM 1056 CB GLN A 73 1.244 13.677 9.702 1.00 0.00 C ATOM 1057 CG GLN A 73 2.353 14.708 9.829 1.00 0.00 C ATOM 1058 CD GLN A 73 2.317 15.459 11.142 1.00 0.00 C ATOM 1059 OE1 GLN A 73 1.890 14.928 12.166 1.00 0.00 O ATOM 1060 NE2 GLN A 73 2.770 16.701 11.120 1.00 0.00 N ATOM 0 H GLN A 73 -0.585 12.200 8.961 1.00 0.00 H new ATOM 0 HA GLN A 73 1.474 13.523 7.566 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.279 14.184 9.736 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.281 13.005 10.559 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.317 14.210 9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.275 15.420 9.008 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.115 17.103 10.248 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.774 17.258 11.975 1.00 0.00 H new ATOM 1069 N GLN A 74 2.274 10.822 9.237 1.00 0.00 N ATOM 1070 CA GLN A 74 3.261 9.806 9.496 1.00 0.00 C ATOM 1071 C GLN A 74 3.752 9.180 8.190 1.00 0.00 C ATOM 1072 O GLN A 74 4.938 8.885 8.032 1.00 0.00 O ATOM 1073 CB GLN A 74 2.580 8.785 10.395 1.00 0.00 C ATOM 1074 CG GLN A 74 3.409 7.618 10.831 1.00 0.00 C ATOM 1075 CD GLN A 74 4.587 8.005 11.706 1.00 0.00 C ATOM 1076 OE1 GLN A 74 5.143 9.094 11.583 1.00 0.00 O ATOM 1077 NE2 GLN A 74 4.977 7.113 12.597 1.00 0.00 N ATOM 0 H GLN A 74 1.366 10.625 9.658 1.00 0.00 H new ATOM 0 HA GLN A 74 4.148 10.215 9.980 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.222 9.301 11.286 1.00 0.00 H new ATOM 0 HB3 GLN A 74 1.702 8.404 9.873 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.777 6.917 11.376 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.778 7.095 9.949 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.491 6.219 12.670 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.764 7.317 13.212 1.00 0.00 H new ATOM 1086 N VAL A 75 2.830 8.976 7.260 1.00 0.00 N ATOM 1087 CA VAL A 75 3.171 8.477 5.932 1.00 0.00 C ATOM 1088 C VAL A 75 3.894 9.544 5.102 1.00 0.00 C ATOM 1089 O VAL A 75 4.868 9.242 4.409 1.00 0.00 O ATOM 1090 CB VAL A 75 1.920 7.988 5.176 1.00 0.00 C ATOM 1091 CG1 VAL A 75 2.254 7.631 3.737 1.00 0.00 C ATOM 1092 CG2 VAL A 75 1.322 6.788 5.890 1.00 0.00 C ATOM 0 H VAL A 75 1.835 9.149 7.400 1.00 0.00 H new ATOM 0 HA VAL A 75 3.844 7.632 6.075 1.00 0.00 H new ATOM 0 HB VAL A 75 1.190 8.798 5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.353 7.289 3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.648 8.510 3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.001 6.838 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.438 6.447 5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.057 5.984 5.928 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.041 7.071 6.905 1.00 0.00 H new ATOM 1102 N VAL A 76 3.423 10.791 5.190 1.00 0.00 N ATOM 1103 CA VAL A 76 3.987 11.898 4.411 1.00 0.00 C ATOM 1104 C VAL A 76 5.492 12.048 4.647 1.00 0.00 C ATOM 1105 O VAL A 76 6.258 12.271 3.705 1.00 0.00 O ATOM 1106 CB VAL A 76 3.276 13.238 4.724 1.00 0.00 C ATOM 1107 CG1 VAL A 76 3.995 14.411 4.069 1.00 0.00 C ATOM 1108 CG2 VAL A 76 1.828 13.194 4.261 1.00 0.00 C ATOM 0 H VAL A 76 2.648 11.061 5.796 1.00 0.00 H new ATOM 0 HA VAL A 76 3.822 11.652 3.362 1.00 0.00 H new ATOM 0 HB VAL A 76 3.300 13.381 5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.472 15.337 4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.018 14.465 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.010 14.271 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.344 14.144 4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.795 13.019 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.306 12.388 4.776 1.00 0.00 H new ATOM 1118 N SER A 77 5.915 11.904 5.896 1.00 0.00 N ATOM 1119 CA SER A 77 7.331 11.983 6.239 1.00 0.00 C ATOM 1120 C SER A 77 8.129 10.939 5.457 1.00 0.00 C ATOM 1121 O SER A 77 9.228 11.210 4.967 1.00 0.00 O ATOM 1122 CB SER A 77 7.516 11.782 7.745 1.00 0.00 C ATOM 1123 OG SER A 77 8.884 11.843 8.111 1.00 0.00 O ATOM 0 H SER A 77 5.298 11.732 6.690 1.00 0.00 H new ATOM 0 HA SER A 77 7.704 12.971 5.969 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.959 12.546 8.287 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.102 10.817 8.038 1.00 0.00 H new ATOM 0 HG SER A 77 8.970 11.713 9.078 1.00 0.00 H new ATOM 1129 N ARG A 78 7.553 9.754 5.324 1.00 0.00 N ATOM 1130 CA ARG A 78 8.183 8.657 4.601 1.00 0.00 C ATOM 1131 C ARG A 78 8.222 8.937 3.103 1.00 0.00 C ATOM 1132 O ARG A 78 9.179 8.573 2.420 1.00 0.00 O ATOM 1133 CB ARG A 78 7.440 7.361 4.887 1.00 0.00 C ATOM 1134 CG ARG A 78 7.469 6.990 6.356 1.00 0.00 C ATOM 1135 CD ARG A 78 6.504 5.870 6.675 1.00 0.00 C ATOM 1136 NE ARG A 78 6.556 5.517 8.087 1.00 0.00 N ATOM 1137 CZ ARG A 78 5.489 5.374 8.861 1.00 0.00 C ATOM 1138 NH1 ARG A 78 4.278 5.601 8.369 1.00 0.00 N ATOM 1139 NH2 ARG A 78 5.635 5.022 10.131 1.00 0.00 N ATOM 0 H ARG A 78 6.638 9.525 5.713 1.00 0.00 H new ATOM 0 HA ARG A 78 9.213 8.560 4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.405 7.459 4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.883 6.555 4.303 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.479 6.689 6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.220 7.865 6.956 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.491 6.173 6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.744 4.996 6.070 1.00 0.00 H new ATOM 0 HE ARG A 78 7.473 5.370 8.508 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.168 5.885 7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.457 5.491 8.964 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.568 4.861 10.512 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.815 4.912 10.727 1.00 0.00 H new ATOM 1153 N ILE A 79 7.176 9.581 2.596 1.00 0.00 N ATOM 1154 CA ILE A 79 7.129 9.975 1.191 1.00 0.00 C ATOM 1155 C ILE A 79 8.254 10.965 0.886 1.00 0.00 C ATOM 1156 O ILE A 79 8.859 10.929 -0.183 1.00 0.00 O ATOM 1157 CB ILE A 79 5.766 10.611 0.827 1.00 0.00 C ATOM 1158 CG1 ILE A 79 4.622 9.640 1.136 1.00 0.00 C ATOM 1159 CG2 ILE A 79 5.734 11.015 -0.644 1.00 0.00 C ATOM 1160 CD1 ILE A 79 3.244 10.221 0.894 1.00 0.00 C ATOM 0 H ILE A 79 6.350 9.841 3.135 1.00 0.00 H new ATOM 0 HA ILE A 79 7.258 9.076 0.589 1.00 0.00 H new ATOM 0 HB ILE A 79 5.636 11.508 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.742 8.746 0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.696 9.326 2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.767 11.460 -0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.524 11.740 -0.839 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.888 10.134 -1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.487 9.475 1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.103 11.098 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.149 10.509 -0.153 1.00 0.00 H new ATOM 1172 N ARG A 80 8.545 11.831 1.851 1.00 0.00 N ATOM 1173 CA ARG A 80 9.626 12.800 1.713 1.00 0.00 C ATOM 1174 C ARG A 80 10.985 12.116 1.821 1.00 0.00 C ATOM 1175 O ARG A 80 11.990 12.633 1.334 1.00 0.00 O ATOM 1176 CB ARG A 80 9.508 13.898 2.776 1.00 0.00 C ATOM 1177 CG ARG A 80 8.703 15.113 2.335 1.00 0.00 C ATOM 1178 CD ARG A 80 7.300 14.738 1.888 1.00 0.00 C ATOM 1179 NE ARG A 80 6.527 15.910 1.486 1.00 0.00 N ATOM 1180 CZ ARG A 80 6.147 16.169 0.231 1.00 0.00 C ATOM 1181 NH1 ARG A 80 6.497 15.359 -0.764 1.00 0.00 N ATOM 1182 NH2 ARG A 80 5.423 17.249 -0.036 1.00 0.00 N ATOM 0 H ARG A 80 8.046 11.881 2.739 1.00 0.00 H new ATOM 0 HA ARG A 80 9.542 13.256 0.726 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.046 13.475 3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 80 10.509 14.223 3.058 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.643 15.825 3.158 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.222 15.614 1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.359 14.038 1.054 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.785 14.224 2.700 1.00 0.00 H new ATOM 0 HE ARG A 80 6.259 16.575 2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.061 14.531 -0.573 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.202 15.566 -1.718 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.156 17.883 0.717 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.134 17.445 -0.994 1.00 0.00 H new ATOM 1196 N ALA A 81 11.007 10.950 2.456 1.00 0.00 N ATOM 1197 CA ALA A 81 12.242 10.198 2.641 1.00 0.00 C ATOM 1198 C ALA A 81 12.643 9.481 1.355 1.00 0.00 C ATOM 1199 O ALA A 81 13.776 9.028 1.212 1.00 0.00 O ATOM 1200 CB ALA A 81 12.091 9.200 3.782 1.00 0.00 C ATOM 0 H ALA A 81 10.180 10.504 2.853 1.00 0.00 H new ATOM 0 HA ALA A 81 13.033 10.903 2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.022 8.647 3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.859 9.734 4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.284 8.505 3.553 1.00 0.00 H new ATOM 1206 N ALA A 82 11.701 9.379 0.425 1.00 0.00 N ATOM 1207 CA ALA A 82 11.973 8.799 -0.880 1.00 0.00 C ATOM 1208 C ALA A 82 12.833 9.752 -1.697 1.00 0.00 C ATOM 1209 O ALA A 82 12.517 10.934 -1.824 1.00 0.00 O ATOM 1210 CB ALA A 82 10.671 8.503 -1.604 1.00 0.00 C ATOM 0 H ALA A 82 10.739 9.692 0.554 1.00 0.00 H new ATOM 0 HA ALA A 82 12.514 7.862 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.888 8.069 -2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.080 7.800 -1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.109 9.428 -1.735 1.00 0.00 H new ATOM 1216 N LEU A 83 13.927 9.232 -2.235 1.00 0.00 N ATOM 1217 CA LEU A 83 14.905 10.059 -2.929 1.00 0.00 C ATOM 1218 C LEU A 83 14.510 10.284 -4.380 1.00 0.00 C ATOM 1219 O LEU A 83 14.190 11.400 -4.781 1.00 0.00 O ATOM 1220 CB LEU A 83 16.307 9.431 -2.860 1.00 0.00 C ATOM 1221 CG LEU A 83 16.925 9.306 -1.454 1.00 0.00 C ATOM 1222 CD1 LEU A 83 16.719 10.586 -0.653 1.00 0.00 C ATOM 1223 CD2 LEU A 83 16.358 8.104 -0.707 1.00 0.00 C ATOM 0 H LEU A 83 14.160 8.240 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 83 14.928 11.025 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 83 16.260 8.437 -3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 83 16.980 10.025 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 83 17.997 9.149 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 83 17.164 10.472 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 83 17.193 11.420 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 83 15.652 10.783 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 83 16.813 8.042 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 83 15.279 8.216 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.576 7.193 -1.264 1.00 0.00 H new ATOM 1235 N ASN A 84 14.542 9.223 -5.167 1.00 0.00 N ATOM 1236 CA ASN A 84 14.208 9.319 -6.580 1.00 0.00 C ATOM 1237 C ASN A 84 12.900 8.599 -6.856 1.00 0.00 C ATOM 1238 O ASN A 84 12.176 8.924 -7.798 1.00 0.00 O ATOM 1239 CB ASN A 84 15.323 8.721 -7.443 1.00 0.00 C ATOM 1240 CG ASN A 84 16.653 9.437 -7.279 1.00 0.00 C ATOM 1241 OD1 ASN A 84 17.715 8.828 -7.396 1.00 0.00 O ATOM 1242 ND2 ASN A 84 16.607 10.733 -7.012 1.00 0.00 N ATOM 0 H ASN A 84 14.795 8.286 -4.854 1.00 0.00 H new ATOM 0 HA ASN A 84 14.099 10.373 -6.836 1.00 0.00 H new ATOM 0 HB2 ASN A 84 15.449 7.669 -7.185 1.00 0.00 H new ATOM 0 HB3 ASN A 84 15.024 8.759 -8.490 1.00 0.00 H new ATOM 0 HD21 ASN A 84 17.472 11.261 -6.896 1.00 0.00 H new ATOM 0 HD22 ASN A 84 15.706 11.204 -6.922 1.00 0.00 H new ATOM 1249 N ALA A 85 12.609 7.613 -6.024 1.00 0.00 N ATOM 1250 CA ALA A 85 11.409 6.815 -6.170 1.00 0.00 C ATOM 1251 C ALA A 85 10.951 6.295 -4.816 1.00 0.00 C ATOM 1252 O ALA A 85 11.756 6.157 -3.891 1.00 0.00 O ATOM 1253 CB ALA A 85 11.656 5.664 -7.135 1.00 0.00 C ATOM 0 H ALA A 85 13.196 7.346 -5.234 1.00 0.00 H new ATOM 0 HA ALA A 85 10.618 7.443 -6.580 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.746 5.072 -7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.941 6.061 -8.109 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.458 5.034 -6.752 1.00 0.00 H new ATOM 1259 N VAL A 86 9.666 6.001 -4.702 1.00 0.00 N ATOM 1260 CA VAL A 86 9.102 5.530 -3.447 1.00 0.00 C ATOM 1261 C VAL A 86 8.440 4.165 -3.627 1.00 0.00 C ATOM 1262 O VAL A 86 7.874 3.872 -4.680 1.00 0.00 O ATOM 1263 CB VAL A 86 8.079 6.543 -2.875 1.00 0.00 C ATOM 1264 CG1 VAL A 86 6.878 6.696 -3.797 1.00 0.00 C ATOM 1265 CG2 VAL A 86 7.638 6.147 -1.471 1.00 0.00 C ATOM 0 H VAL A 86 8.993 6.080 -5.464 1.00 0.00 H new ATOM 0 HA VAL A 86 9.922 5.432 -2.736 1.00 0.00 H new ATOM 0 HB VAL A 86 8.577 7.511 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.179 7.413 -3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.211 7.053 -4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.383 5.732 -3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.920 6.876 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.173 5.162 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.505 6.119 -0.811 1.00 0.00 H new ATOM 1275 N ARG A 87 8.542 3.326 -2.604 1.00 0.00 N ATOM 1276 CA ARG A 87 7.882 2.030 -2.609 1.00 0.00 C ATOM 1277 C ARG A 87 6.588 2.106 -1.824 1.00 0.00 C ATOM 1278 O ARG A 87 6.596 2.411 -0.632 1.00 0.00 O ATOM 1279 CB ARG A 87 8.777 0.953 -1.997 1.00 0.00 C ATOM 1280 CG ARG A 87 9.965 0.553 -2.854 1.00 0.00 C ATOM 1281 CD ARG A 87 10.759 -0.552 -2.176 1.00 0.00 C ATOM 1282 NE ARG A 87 11.830 -1.078 -3.018 1.00 0.00 N ATOM 1283 CZ ARG A 87 12.362 -2.288 -2.863 1.00 0.00 C ATOM 1284 NH1 ARG A 87 11.942 -3.085 -1.888 1.00 0.00 N ATOM 1285 NH2 ARG A 87 13.323 -2.691 -3.674 1.00 0.00 N ATOM 0 H ARG A 87 9.078 3.522 -1.758 1.00 0.00 H new ATOM 0 HA ARG A 87 7.673 1.764 -3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.144 1.309 -1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.173 0.067 -1.800 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.619 0.214 -3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.606 1.418 -3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.186 -0.170 -1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.084 -1.364 -1.905 1.00 0.00 H new ATOM 0 HE ARG A 87 12.190 -0.485 -3.766 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.208 -2.771 -1.253 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.353 -4.011 -1.774 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.655 -2.076 -4.416 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.733 -3.618 -3.558 1.00 0.00 H new ATOM 1299 N LEU A 88 5.483 1.854 -2.494 1.00 0.00 N ATOM 1300 CA LEU A 88 4.192 1.860 -1.841 1.00 0.00 C ATOM 1301 C LEU A 88 3.509 0.509 -2.011 1.00 0.00 C ATOM 1302 O LEU A 88 3.201 0.093 -3.129 1.00 0.00 O ATOM 1303 CB LEU A 88 3.317 2.982 -2.406 1.00 0.00 C ATOM 1304 CG LEU A 88 3.889 4.390 -2.231 1.00 0.00 C ATOM 1305 CD1 LEU A 88 3.004 5.410 -2.922 1.00 0.00 C ATOM 1306 CD2 LEU A 88 4.030 4.725 -0.757 1.00 0.00 C ATOM 0 H LEU A 88 5.454 1.642 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 88 4.338 2.041 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.157 2.799 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.340 2.939 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 88 4.877 4.421 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.425 6.407 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.946 5.180 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.004 5.377 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.438 5.730 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.052 4.678 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.701 4.008 -0.284 1.00 0.00 H new ATOM 1318 N LEU A 89 3.304 -0.180 -0.905 1.00 0.00 N ATOM 1319 CA LEU A 89 2.619 -1.465 -0.915 1.00 0.00 C ATOM 1320 C LEU A 89 1.144 -1.259 -0.610 1.00 0.00 C ATOM 1321 O LEU A 89 0.802 -0.682 0.421 1.00 0.00 O ATOM 1322 CB LEU A 89 3.236 -2.397 0.128 1.00 0.00 C ATOM 1323 CG LEU A 89 2.572 -3.767 0.261 1.00 0.00 C ATOM 1324 CD1 LEU A 89 2.980 -4.686 -0.879 1.00 0.00 C ATOM 1325 CD2 LEU A 89 2.919 -4.388 1.600 1.00 0.00 C ATOM 0 H LEU A 89 3.603 0.129 0.020 1.00 0.00 H new ATOM 0 HA LEU A 89 2.726 -1.917 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.287 -2.545 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.203 -1.901 1.098 1.00 0.00 H new ATOM 0 HG LEU A 89 1.492 -3.631 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.493 -5.654 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.679 -4.244 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.062 -4.821 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.440 -5.364 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.000 -4.506 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.567 -3.741 2.403 1.00 0.00 H new ATOM 1337 N VAL A 90 0.273 -1.710 -1.502 1.00 0.00 N ATOM 1338 CA VAL A 90 -1.161 -1.528 -1.300 1.00 0.00 C ATOM 1339 C VAL A 90 -1.950 -2.807 -1.559 1.00 0.00 C ATOM 1340 O VAL A 90 -1.508 -3.695 -2.292 1.00 0.00 O ATOM 1341 CB VAL A 90 -1.740 -0.401 -2.189 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -1.163 0.952 -1.807 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -1.490 -0.685 -3.664 1.00 0.00 C ATOM 0 H VAL A 90 0.527 -2.198 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.269 -1.249 -0.252 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.817 -0.372 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.589 1.723 -2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.406 1.171 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.080 0.934 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.907 0.122 -4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.417 -0.755 -3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.966 -1.626 -3.939 1.00 0.00 H new ATOM 1353 N VAL A 91 -3.118 -2.874 -0.938 1.00 0.00 N ATOM 1354 CA VAL A 91 -4.063 -3.963 -1.124 1.00 0.00 C ATOM 1355 C VAL A 91 -5.475 -3.388 -0.999 1.00 0.00 C ATOM 1356 O VAL A 91 -5.684 -2.428 -0.256 1.00 0.00 O ATOM 1357 CB VAL A 91 -3.843 -5.091 -0.076 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -4.137 -4.594 1.332 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -4.688 -6.315 -0.411 1.00 0.00 C ATOM 0 H VAL A 91 -3.440 -2.163 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.916 -4.408 -2.108 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.794 -5.385 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.975 -5.403 2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.474 -3.762 1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.173 -4.260 1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.517 -7.090 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.743 -6.039 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.409 -6.691 -1.395 1.00 0.00 H new ATOM 1369 N ASP A 92 -6.434 -3.929 -1.743 1.00 0.00 N ATOM 1370 CA ASP A 92 -7.791 -3.397 -1.698 1.00 0.00 C ATOM 1371 C ASP A 92 -8.461 -3.789 -0.381 1.00 0.00 C ATOM 1372 O ASP A 92 -8.359 -4.931 0.072 1.00 0.00 O ATOM 1373 CB ASP A 92 -8.624 -3.842 -2.917 1.00 0.00 C ATOM 1374 CG ASP A 92 -9.181 -5.249 -2.826 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -10.213 -5.444 -2.147 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -8.618 -6.160 -3.465 1.00 0.00 O ATOM 0 H ASP A 92 -6.302 -4.720 -2.373 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.734 -2.310 -1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.453 -3.146 -3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.003 -3.769 -3.810 1.00 0.00 H new ATOM 1381 N PRO A 93 -9.126 -2.803 0.258 1.00 0.00 N ATOM 1382 CA PRO A 93 -9.658 -2.919 1.628 1.00 0.00 C ATOM 1383 C PRO A 93 -10.557 -4.128 1.851 1.00 0.00 C ATOM 1384 O PRO A 93 -10.568 -4.699 2.940 1.00 0.00 O ATOM 1385 CB PRO A 93 -10.460 -1.630 1.808 1.00 0.00 C ATOM 1386 CG PRO A 93 -9.833 -0.662 0.873 1.00 0.00 C ATOM 1387 CD PRO A 93 -9.406 -1.471 -0.316 1.00 0.00 C ATOM 0 HA PRO A 93 -8.847 -3.057 2.343 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.513 -1.783 1.572 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -10.412 -1.274 2.837 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.538 0.118 0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.980 -0.165 1.336 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.189 -1.516 -1.073 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.524 -1.046 -0.795 1.00 0.00 H new ATOM 1395 N GLU A 94 -11.312 -4.510 0.832 1.00 0.00 N ATOM 1396 CA GLU A 94 -12.205 -5.653 0.947 1.00 0.00 C ATOM 1397 C GLU A 94 -11.403 -6.933 1.136 1.00 0.00 C ATOM 1398 O GLU A 94 -11.703 -7.743 2.017 1.00 0.00 O ATOM 1399 CB GLU A 94 -13.092 -5.762 -0.289 1.00 0.00 C ATOM 1400 CG GLU A 94 -13.984 -4.554 -0.499 1.00 0.00 C ATOM 1401 CD GLU A 94 -14.678 -4.587 -1.839 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -14.027 -4.260 -2.854 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -15.873 -4.947 -1.889 1.00 0.00 O ATOM 0 H GLU A 94 -11.325 -4.049 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 94 -12.842 -5.508 1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -12.462 -5.896 -1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.714 -6.653 -0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.730 -4.513 0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.387 -3.645 -0.423 1.00 0.00 H new ATOM 1410 N THR A 95 -10.377 -7.098 0.318 1.00 0.00 N ATOM 1411 CA THR A 95 -9.491 -8.243 0.425 1.00 0.00 C ATOM 1412 C THR A 95 -8.642 -8.151 1.692 1.00 0.00 C ATOM 1413 O THR A 95 -8.383 -9.154 2.356 1.00 0.00 O ATOM 1414 CB THR A 95 -8.572 -8.340 -0.803 1.00 0.00 C ATOM 1415 OG1 THR A 95 -9.356 -8.274 -1.999 1.00 0.00 O ATOM 1416 CG2 THR A 95 -7.789 -9.637 -0.789 1.00 0.00 C ATOM 0 H THR A 95 -10.137 -6.449 -0.431 1.00 0.00 H new ATOM 0 HA THR A 95 -10.110 -9.139 0.475 1.00 0.00 H new ATOM 0 HB THR A 95 -7.870 -7.507 -0.773 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.879 -7.747 -2.674 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.146 -9.683 -1.668 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.177 -9.683 0.112 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.480 -10.480 -0.801 1.00 0.00 H new ATOM 1424 N ASP A 96 -8.235 -6.933 2.026 1.00 0.00 N ATOM 1425 CA ASP A 96 -7.401 -6.677 3.201 1.00 0.00 C ATOM 1426 C ASP A 96 -8.067 -7.178 4.476 1.00 0.00 C ATOM 1427 O ASP A 96 -7.436 -7.855 5.292 1.00 0.00 O ATOM 1428 CB ASP A 96 -7.120 -5.173 3.312 1.00 0.00 C ATOM 1429 CG ASP A 96 -6.660 -4.752 4.695 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -5.505 -5.040 5.063 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -7.456 -4.103 5.410 1.00 0.00 O ATOM 0 H ASP A 96 -8.471 -6.095 1.494 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.463 -7.219 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.358 -4.897 2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.023 -4.621 3.053 1.00 0.00 H new ATOM 1436 N GLU A 97 -9.352 -6.889 4.621 1.00 0.00 N ATOM 1437 CA GLU A 97 -10.083 -7.282 5.815 1.00 0.00 C ATOM 1438 C GLU A 97 -10.148 -8.799 5.970 1.00 0.00 C ATOM 1439 O GLU A 97 -10.047 -9.311 7.084 1.00 0.00 O ATOM 1440 CB GLU A 97 -11.489 -6.688 5.815 1.00 0.00 C ATOM 1441 CG GLU A 97 -11.508 -5.184 6.021 1.00 0.00 C ATOM 1442 CD GLU A 97 -12.900 -4.651 6.278 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -13.485 -4.998 7.324 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -13.413 -3.880 5.444 1.00 0.00 O ATOM 0 H GLU A 97 -9.908 -6.386 3.929 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.535 -6.885 6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.975 -6.924 4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.076 -7.162 6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.864 -4.928 6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.092 -4.695 5.140 1.00 0.00 H new ATOM 1451 N GLN A 98 -10.342 -9.528 4.875 1.00 0.00 N ATOM 1452 CA GLN A 98 -10.352 -10.983 4.962 1.00 0.00 C ATOM 1453 C GLN A 98 -8.934 -11.534 5.138 1.00 0.00 C ATOM 1454 O GLN A 98 -8.710 -12.417 5.963 1.00 0.00 O ATOM 1455 CB GLN A 98 -11.064 -11.643 3.770 1.00 0.00 C ATOM 1456 CG GLN A 98 -10.359 -11.502 2.434 1.00 0.00 C ATOM 1457 CD GLN A 98 -10.960 -12.403 1.372 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -10.549 -13.551 1.205 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -11.953 -11.904 0.658 1.00 0.00 N ATOM 0 H GLN A 98 -10.491 -9.147 3.940 1.00 0.00 H new ATOM 0 HA GLN A 98 -10.931 -11.241 5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -11.190 -12.704 3.985 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -12.063 -11.215 3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -10.415 -10.465 2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -9.302 -11.741 2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -12.269 -10.948 0.822 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -12.404 -12.474 -0.057 1.00 0.00 H new ATOM 1468 N LEU A 99 -7.970 -10.984 4.391 1.00 0.00 N ATOM 1469 CA LEU A 99 -6.593 -11.479 4.424 1.00 0.00 C ATOM 1470 C LEU A 99 -5.968 -11.326 5.805 1.00 0.00 C ATOM 1471 O LEU A 99 -5.167 -12.159 6.214 1.00 0.00 O ATOM 1472 CB LEU A 99 -5.716 -10.776 3.381 1.00 0.00 C ATOM 1473 CG LEU A 99 -5.955 -11.190 1.927 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -4.923 -10.540 1.018 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -5.908 -12.705 1.780 1.00 0.00 C ATOM 0 H LEU A 99 -8.119 -10.198 3.758 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.642 -12.541 4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.875 -9.701 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.671 -10.964 3.626 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.948 -10.849 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.104 -10.843 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.000 -9.456 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.924 -10.855 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.081 -12.975 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.930 -13.071 2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.680 -13.155 2.404 1.00 0.00 H new ATOM 1487 N GLN A 100 -6.325 -10.268 6.525 1.00 0.00 N ATOM 1488 CA GLN A 100 -5.789 -10.070 7.871 1.00 0.00 C ATOM 1489 C GLN A 100 -6.263 -11.187 8.803 1.00 0.00 C ATOM 1490 O GLN A 100 -5.518 -11.634 9.674 1.00 0.00 O ATOM 1491 CB GLN A 100 -6.172 -8.695 8.441 1.00 0.00 C ATOM 1492 CG GLN A 100 -7.653 -8.533 8.728 1.00 0.00 C ATOM 1493 CD GLN A 100 -7.965 -7.289 9.536 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -7.281 -6.272 9.434 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -8.987 -7.374 10.371 1.00 0.00 N ATOM 0 H GLN A 100 -6.971 -9.545 6.209 1.00 0.00 H new ATOM 0 HA GLN A 100 -4.702 -10.104 7.801 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.614 -8.528 9.362 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.863 -7.923 7.736 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.198 -8.494 7.785 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.011 -9.410 9.267 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.530 -8.236 10.426 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.232 -6.578 10.960 1.00 0.00 H new ATOM 1504 N LYS A 101 -7.495 -11.650 8.603 1.00 0.00 N ATOM 1505 CA LYS A 101 -8.055 -12.714 9.429 1.00 0.00 C ATOM 1506 C LYS A 101 -7.438 -14.058 9.052 1.00 0.00 C ATOM 1507 O LYS A 101 -7.402 -14.990 9.858 1.00 0.00 O ATOM 1508 CB LYS A 101 -9.577 -12.790 9.265 1.00 0.00 C ATOM 1509 CG LYS A 101 -10.297 -11.472 9.506 1.00 0.00 C ATOM 1510 CD LYS A 101 -11.803 -11.669 9.561 1.00 0.00 C ATOM 1511 CE LYS A 101 -12.552 -10.345 9.602 1.00 0.00 C ATOM 1512 NZ LYS A 101 -12.488 -9.628 8.301 1.00 0.00 N ATOM 0 H LYS A 101 -8.123 -11.305 7.877 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.823 -12.487 10.470 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.806 -13.137 8.257 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.969 -13.537 9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.951 -11.032 10.441 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.049 -10.769 8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.125 -12.241 8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.059 -12.258 10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.594 -10.526 9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.131 -9.714 10.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.106 -8.792 8.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.509 -9.327 8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.803 -10.262 7.539 1.00 0.00 H new ATOM 1526 N LEU A 102 -6.965 -14.151 7.819 1.00 0.00 N ATOM 1527 CA LEU A 102 -6.344 -15.368 7.320 1.00 0.00 C ATOM 1528 C LEU A 102 -4.869 -15.404 7.706 1.00 0.00 C ATOM 1529 O LEU A 102 -4.360 -16.409 8.206 1.00 0.00 O ATOM 1530 CB LEU A 102 -6.498 -15.438 5.795 1.00 0.00 C ATOM 1531 CG LEU A 102 -7.942 -15.352 5.289 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -7.975 -15.122 3.786 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -8.715 -16.613 5.647 1.00 0.00 C ATOM 0 H LEU A 102 -7.000 -13.391 7.140 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.838 -16.231 7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.923 -14.627 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.060 -16.372 5.442 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.419 -14.503 5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.010 -15.064 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.464 -14.189 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.475 -15.948 3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.737 -16.530 5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.233 -17.477 5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.729 -16.736 6.730 1.00 0.00 H new ATOM 1545 N GLY A 103 -4.199 -14.284 7.489 1.00 0.00 N ATOM 1546 CA GLY A 103 -2.788 -14.171 7.790 1.00 0.00 C ATOM 1547 C GLY A 103 -2.131 -13.120 6.923 1.00 0.00 C ATOM 1548 O GLY A 103 -1.754 -13.398 5.783 1.00 0.00 O ATOM 0 H GLY A 103 -4.616 -13.437 7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.656 -13.915 8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.301 -15.133 7.633 1.00 0.00 H new ATOM 1552 N VAL A 104 -2.000 -11.907 7.448 1.00 0.00 N ATOM 1553 CA VAL A 104 -1.496 -10.792 6.655 1.00 0.00 C ATOM 1554 C VAL A 104 0.024 -10.862 6.474 1.00 0.00 C ATOM 1555 O VAL A 104 0.804 -10.295 7.238 1.00 0.00 O ATOM 1556 CB VAL A 104 -1.922 -9.421 7.240 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -1.546 -9.297 8.709 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -1.323 -8.277 6.431 1.00 0.00 C ATOM 0 H VAL A 104 -2.234 -11.671 8.412 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.952 -10.883 5.669 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.008 -9.359 7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.860 -8.323 9.084 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.042 -10.083 9.279 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.466 -9.396 8.818 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.636 -7.325 6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.235 -8.346 6.454 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.669 -8.341 5.399 1.00 0.00 H new ATOM 1568 N GLN A 105 0.433 -11.593 5.451 1.00 0.00 N ATOM 1569 CA GLN A 105 1.829 -11.644 5.044 1.00 0.00 C ATOM 1570 C GLN A 105 2.019 -10.815 3.780 1.00 0.00 C ATOM 1571 O GLN A 105 3.011 -10.957 3.063 1.00 0.00 O ATOM 1572 CB GLN A 105 2.253 -13.087 4.791 1.00 0.00 C ATOM 1573 CG GLN A 105 2.176 -13.972 6.024 1.00 0.00 C ATOM 1574 CD GLN A 105 2.521 -15.417 5.727 1.00 0.00 C ATOM 1575 OE1 GLN A 105 3.309 -15.710 4.827 1.00 0.00 O ATOM 1576 NE2 GLN A 105 1.934 -16.334 6.481 1.00 0.00 N ATOM 0 H GLN A 105 -0.189 -12.166 4.881 1.00 0.00 H new ATOM 0 HA GLN A 105 2.449 -11.235 5.842 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.621 -13.511 4.011 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.275 -13.095 4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.856 -13.589 6.785 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.170 -13.921 6.441 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.287 -16.051 7.217 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.129 -17.323 6.326 1.00 0.00 H new ATOM 1585 N VAL A 106 1.039 -9.951 3.518 1.00 0.00 N ATOM 1586 CA VAL A 106 1.030 -9.120 2.319 1.00 0.00 C ATOM 1587 C VAL A 106 2.164 -8.100 2.339 1.00 0.00 C ATOM 1588 O VAL A 106 2.510 -7.530 1.307 1.00 0.00 O ATOM 1589 CB VAL A 106 -0.326 -8.384 2.134 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -1.494 -9.323 2.384 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -0.435 -7.145 3.012 1.00 0.00 C ATOM 0 H VAL A 106 0.234 -9.809 4.128 1.00 0.00 H new ATOM 0 HA VAL A 106 1.175 -9.795 1.475 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.365 -8.049 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.431 -8.783 2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.449 -10.155 1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.441 -9.706 3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.400 -6.666 2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.347 -7.433 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.364 -6.448 2.759 1.00 0.00 H new ATOM 1601 N ARG A 107 2.736 -7.893 3.520 1.00 0.00 N ATOM 1602 CA ARG A 107 3.713 -6.837 3.747 1.00 0.00 C ATOM 1603 C ARG A 107 4.949 -7.007 2.869 1.00 0.00 C ATOM 1604 O ARG A 107 5.441 -6.037 2.295 1.00 0.00 O ATOM 1605 CB ARG A 107 4.081 -6.801 5.227 1.00 0.00 C ATOM 1606 CG ARG A 107 2.880 -6.515 6.112 1.00 0.00 C ATOM 1607 CD ARG A 107 3.189 -6.698 7.586 1.00 0.00 C ATOM 1608 NE ARG A 107 2.033 -6.349 8.408 1.00 0.00 N ATOM 1609 CZ ARG A 107 1.868 -6.711 9.676 1.00 0.00 C ATOM 1610 NH1 ARG A 107 2.765 -7.480 10.279 1.00 0.00 N ATOM 1611 NH2 ARG A 107 0.789 -6.308 10.337 1.00 0.00 N ATOM 0 H ARG A 107 2.534 -8.454 4.348 1.00 0.00 H new ATOM 0 HA ARG A 107 3.266 -5.883 3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 107 4.521 -7.756 5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.841 -6.037 5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 107 2.540 -5.494 5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 107 2.060 -7.176 5.831 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.476 -7.732 7.776 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.039 -6.075 7.864 1.00 0.00 H new ATOM 0 HE ARG A 107 1.299 -5.787 7.977 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.589 -7.798 9.769 1.00 0.00 H new ATOM 0 HH12 ARG A 107 2.631 -7.753 11.253 1.00 0.00 H new ATOM 0 HH21 ARG A 107 0.094 -5.725 9.871 1.00 0.00 H new ATOM 0 HH22 ARG A 107 0.655 -6.582 11.310 1.00 0.00 H new ATOM 1625 N GLU A 108 5.448 -8.228 2.766 1.00 0.00 N ATOM 1626 CA GLU A 108 6.502 -8.534 1.807 1.00 0.00 C ATOM 1627 C GLU A 108 6.764 -10.037 1.768 1.00 0.00 C ATOM 1628 O GLU A 108 7.296 -10.559 0.790 1.00 0.00 O ATOM 1629 CB GLU A 108 7.806 -7.792 2.142 1.00 0.00 C ATOM 1630 CG GLU A 108 8.816 -7.810 1.002 1.00 0.00 C ATOM 1631 CD GLU A 108 10.122 -7.130 1.354 1.00 0.00 C ATOM 1632 OE1 GLU A 108 10.212 -5.891 1.219 1.00 0.00 O ATOM 1633 OE2 GLU A 108 11.076 -7.834 1.749 1.00 0.00 O ATOM 0 H GLU A 108 5.144 -9.021 3.331 1.00 0.00 H new ATOM 0 HA GLU A 108 6.160 -8.198 0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.573 -6.758 2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 108 8.257 -8.244 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.016 -8.843 0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.381 -7.319 0.131 1.00 0.00 H new ATOM 1640 N GLU A 109 6.370 -10.730 2.835 1.00 0.00 N ATOM 1641 CA GLU A 109 6.619 -12.161 2.965 1.00 0.00 C ATOM 1642 C GLU A 109 6.066 -12.931 1.770 1.00 0.00 C ATOM 1643 O GLU A 109 6.753 -13.780 1.201 1.00 0.00 O ATOM 1644 CB GLU A 109 6.004 -12.712 4.256 1.00 0.00 C ATOM 1645 CG GLU A 109 6.410 -11.958 5.513 1.00 0.00 C ATOM 1646 CD GLU A 109 5.466 -10.818 5.841 1.00 0.00 C ATOM 1647 OE1 GLU A 109 5.527 -9.772 5.159 1.00 0.00 O ATOM 1648 OE2 GLU A 109 4.654 -10.972 6.776 1.00 0.00 O ATOM 0 H GLU A 109 5.874 -10.319 3.626 1.00 0.00 H new ATOM 0 HA GLU A 109 7.700 -12.296 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.918 -12.688 4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.292 -13.758 4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.442 -12.651 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.418 -11.564 5.386 1.00 0.00 H new ATOM 1655 N LEU A 110 4.835 -12.619 1.387 1.00 0.00 N ATOM 1656 CA LEU A 110 4.192 -13.283 0.259 1.00 0.00 C ATOM 1657 C LEU A 110 4.911 -12.966 -1.048 1.00 0.00 C ATOM 1658 O LEU A 110 5.027 -13.819 -1.923 1.00 0.00 O ATOM 1659 CB LEU A 110 2.728 -12.854 0.157 1.00 0.00 C ATOM 1660 CG LEU A 110 1.935 -13.519 -0.968 1.00 0.00 C ATOM 1661 CD1 LEU A 110 1.786 -15.013 -0.710 1.00 0.00 C ATOM 1662 CD2 LEU A 110 0.578 -12.860 -1.114 1.00 0.00 C ATOM 0 H LEU A 110 4.260 -11.909 1.841 1.00 0.00 H new ATOM 0 HA LEU A 110 4.243 -14.358 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.235 -13.070 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.691 -11.774 0.017 1.00 0.00 H new ATOM 0 HG LEU A 110 2.483 -13.391 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.219 -15.468 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.773 -15.473 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.260 -15.169 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.024 -13.343 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.023 -12.959 -0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.710 -11.804 -1.348 1.00 0.00 H new ATOM 1674 N LEU A 111 5.413 -11.741 -1.158 1.00 0.00 N ATOM 1675 CA LEU A 111 6.066 -11.287 -2.382 1.00 0.00 C ATOM 1676 C LEU A 111 7.389 -12.012 -2.606 1.00 0.00 C ATOM 1677 O LEU A 111 7.920 -12.014 -3.716 1.00 0.00 O ATOM 1678 CB LEU A 111 6.303 -9.770 -2.354 1.00 0.00 C ATOM 1679 CG LEU A 111 5.054 -8.891 -2.517 1.00 0.00 C ATOM 1680 CD1 LEU A 111 4.244 -8.831 -1.230 1.00 0.00 C ATOM 1681 CD2 LEU A 111 5.445 -7.491 -2.963 1.00 0.00 C ATOM 0 H LEU A 111 5.381 -11.044 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 111 5.396 -11.522 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.782 -9.514 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.007 -9.517 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 111 4.426 -9.343 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.368 -8.201 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.925 -9.836 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.858 -8.413 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.549 -6.881 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 111 6.100 -7.041 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.967 -7.546 -3.918 1.00 0.00 H new