USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 528 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 44 CYS SG : rot -169:sc= -2.83 USER MOD Set 1.2: A 71 ASN : amide:sc= -3.73 K(o=-6.6,f=-9.8!) USER MOD Set 2.1: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 139:sc= -0.283 (180deg=-1.41!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -7.74! C(o=-7.7!,f=-0.84!) USER MOD Single : A 49 ASN : amide:sc= -0.0435 K(o=-0.044,f=-2!) USER MOD Single : A 50 CYS SG : rot 70:sc= -2.22! USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 160:sc= 0.0981 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -91:sc= -0.0897 USER MOD Single : A 68 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.15) USER MOD Single : A 69 GLN : amide:sc= -2.75! C(o=-2.8!,f=-6.3!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.265 K(o=-0.27,f=-0.88) USER MOD Single : A 77 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-2.3) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N ARG A 20 -9.751 -5.702 -0.857 1.00 0.00 N ATOM 31 CA ARG A 20 -10.229 -6.805 -0.029 1.00 0.00 C ATOM 32 C ARG A 20 -10.107 -8.123 -0.784 1.00 0.00 C ATOM 33 O ARG A 20 -11.101 -8.675 -1.250 1.00 0.00 O ATOM 34 CB ARG A 20 -11.690 -6.569 0.362 1.00 0.00 C ATOM 35 CG ARG A 20 -11.784 -5.354 1.290 1.00 0.00 C ATOM 36 CD ARG A 20 -13.151 -5.334 1.970 1.00 0.00 C ATOM 37 NE ARG A 20 -13.307 -6.511 2.817 1.00 0.00 N ATOM 38 CZ ARG A 20 -14.504 -6.888 3.252 1.00 0.00 C ATOM 39 NH1 ARG A 20 -15.564 -6.201 2.922 1.00 0.00 N ATOM 40 NH2 ARG A 20 -14.621 -7.943 4.011 1.00 0.00 N ATOM 0 HA ARG A 20 -9.618 -6.855 0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.294 -6.405 -0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.091 -7.452 0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.994 -5.394 2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.636 -4.436 0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.255 -4.429 2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.940 -5.311 1.218 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.484 -7.053 3.079 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.473 -5.375 2.330 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.483 -6.490 3.256 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.793 -8.479 4.271 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.541 -8.232 4.345 1.00 0.00 H new ATOM 54 N PRO A 21 -8.906 -8.630 -0.904 1.00 0.00 N ATOM 55 CA PRO A 21 -8.638 -9.911 -1.625 1.00 0.00 C ATOM 56 C PRO A 21 -9.563 -11.037 -1.166 1.00 0.00 C ATOM 57 O PRO A 21 -10.037 -11.829 -1.978 1.00 0.00 O ATOM 58 CB PRO A 21 -7.174 -10.222 -1.268 1.00 0.00 C ATOM 59 CG PRO A 21 -6.555 -8.893 -0.966 1.00 0.00 C ATOM 60 CD PRO A 21 -7.670 -8.031 -0.369 1.00 0.00 C ATOM 0 HA PRO A 21 -8.814 -9.825 -2.697 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.111 -10.890 -0.409 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.663 -10.716 -2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.727 -8.999 -0.265 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.151 -8.437 -1.870 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.654 -8.055 0.721 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.571 -6.987 -0.666 1.00 0.00 H new ATOM 68 N GLU A 22 -9.815 -11.095 0.133 1.00 0.00 N ATOM 69 CA GLU A 22 -10.684 -12.128 0.684 1.00 0.00 C ATOM 70 C GLU A 22 -12.099 -11.979 0.137 1.00 0.00 C ATOM 71 O GLU A 22 -12.832 -12.960 0.011 1.00 0.00 O ATOM 72 CB GLU A 22 -10.710 -12.032 2.210 1.00 0.00 C ATOM 73 CG GLU A 22 -11.522 -13.195 2.782 1.00 0.00 C ATOM 74 CD GLU A 22 -11.500 -13.148 4.307 1.00 0.00 C ATOM 75 OE1 GLU A 22 -10.645 -12.464 4.845 1.00 0.00 O ATOM 76 OE2 GLU A 22 -12.335 -13.801 4.912 1.00 0.00 O ATOM 0 H GLU A 22 -9.435 -10.446 0.822 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.292 -13.102 0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.694 -12.056 2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.149 -11.083 2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.550 -13.142 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.111 -14.142 2.433 1.00 0.00 H new ATOM 83 N GLU A 23 -12.480 -10.746 -0.185 1.00 0.00 N ATOM 84 CA GLU A 23 -13.809 -10.480 -0.715 1.00 0.00 C ATOM 85 C GLU A 23 -13.888 -10.869 -2.184 1.00 0.00 C ATOM 86 O GLU A 23 -14.908 -11.370 -2.644 1.00 0.00 O ATOM 87 CB GLU A 23 -14.151 -8.999 -0.554 1.00 0.00 C ATOM 88 CG GLU A 23 -15.586 -8.748 -1.029 1.00 0.00 C ATOM 89 CD GLU A 23 -15.959 -7.287 -0.807 1.00 0.00 C ATOM 90 OE1 GLU A 23 -15.066 -6.504 -0.531 1.00 0.00 O ATOM 91 OE2 GLU A 23 -17.132 -6.972 -0.920 1.00 0.00 O ATOM 0 H GLU A 23 -11.889 -9.921 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.528 -11.078 -0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.046 -8.702 0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.455 -8.390 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -15.677 -8.999 -2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.276 -9.395 -0.487 1.00 0.00 H new ATOM 98 N ILE A 24 -12.809 -10.627 -2.914 1.00 0.00 N ATOM 99 CA ILE A 24 -12.781 -10.948 -4.335 1.00 0.00 C ATOM 100 C ILE A 24 -12.955 -12.444 -4.550 1.00 0.00 C ATOM 101 O ILE A 24 -13.706 -12.864 -5.431 1.00 0.00 O ATOM 102 CB ILE A 24 -11.445 -10.476 -4.958 1.00 0.00 C ATOM 103 CG1 ILE A 24 -11.495 -8.968 -5.262 1.00 0.00 C ATOM 104 CG2 ILE A 24 -11.148 -11.253 -6.250 1.00 0.00 C ATOM 105 CD1 ILE A 24 -11.377 -8.167 -3.969 1.00 0.00 C ATOM 0 H ILE A 24 -11.950 -10.214 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.606 -10.430 -4.823 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.650 -10.668 -4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.685 -8.699 -5.940 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.429 -8.722 -5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.205 -10.908 -6.674 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -11.077 -12.317 -6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.951 -11.086 -6.968 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.414 -7.102 -4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.202 -8.425 -3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.431 -8.402 -3.481 1.00 0.00 H new ATOM 117 N GLU A 25 -12.258 -13.238 -3.758 1.00 0.00 N ATOM 118 CA GLU A 25 -12.346 -14.683 -3.890 1.00 0.00 C ATOM 119 C GLU A 25 -13.790 -15.115 -4.106 1.00 0.00 C ATOM 120 O GLU A 25 -14.068 -16.005 -4.906 1.00 0.00 O ATOM 121 CB GLU A 25 -11.793 -15.351 -2.631 1.00 0.00 C ATOM 122 CG GLU A 25 -10.280 -15.140 -2.559 1.00 0.00 C ATOM 123 CD GLU A 25 -9.736 -15.711 -1.253 1.00 0.00 C ATOM 124 OE1 GLU A 25 -10.520 -16.269 -0.502 1.00 0.00 O ATOM 125 OE2 GLU A 25 -8.545 -15.582 -1.023 1.00 0.00 O ATOM 0 H GLU A 25 -11.630 -12.912 -3.023 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.757 -14.989 -4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.271 -14.932 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.021 -16.417 -2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.796 -15.625 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.049 -14.077 -2.625 1.00 0.00 H new ATOM 132 N GLU A 26 -14.706 -14.471 -3.393 1.00 0.00 N ATOM 133 CA GLU A 26 -16.120 -14.798 -3.521 1.00 0.00 C ATOM 134 C GLU A 26 -16.625 -14.457 -4.919 1.00 0.00 C ATOM 135 O GLU A 26 -17.348 -15.238 -5.539 1.00 0.00 O ATOM 136 CB GLU A 26 -16.932 -14.026 -2.478 1.00 0.00 C ATOM 137 CG GLU A 26 -16.583 -14.543 -1.080 1.00 0.00 C ATOM 138 CD GLU A 26 -17.353 -13.754 -0.026 1.00 0.00 C ATOM 139 OE1 GLU A 26 -18.123 -12.888 -0.407 1.00 0.00 O ATOM 140 OE2 GLU A 26 -17.163 -14.030 1.148 1.00 0.00 O ATOM 0 H GLU A 26 -14.498 -13.727 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.242 -15.868 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.716 -12.960 -2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.998 -14.148 -2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.827 -15.603 -1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.511 -14.449 -0.906 1.00 0.00 H new ATOM 147 N LEU A 27 -16.241 -13.285 -5.412 1.00 0.00 N ATOM 148 CA LEU A 27 -16.663 -12.850 -6.738 1.00 0.00 C ATOM 149 C LEU A 27 -16.095 -13.766 -7.811 1.00 0.00 C ATOM 150 O LEU A 27 -16.786 -14.122 -8.764 1.00 0.00 O ATOM 151 CB LEU A 27 -16.200 -11.407 -6.980 1.00 0.00 C ATOM 152 CG LEU A 27 -17.165 -10.426 -6.288 1.00 0.00 C ATOM 153 CD1 LEU A 27 -18.537 -10.415 -7.001 1.00 0.00 C ATOM 154 CD2 LEU A 27 -17.346 -10.844 -4.820 1.00 0.00 C ATOM 0 H LEU A 27 -15.643 -12.623 -4.918 1.00 0.00 H new ATOM 0 HA LEU A 27 -17.751 -12.895 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.190 -11.270 -6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.164 -11.202 -8.050 1.00 0.00 H new ATOM 0 HG LEU A 27 -16.744 -9.422 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -19.204 -9.716 -6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -18.406 -10.107 -8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -18.970 -11.415 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -18.028 -10.152 -4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.757 -11.852 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.381 -10.824 -4.314 1.00 0.00 H new ATOM 166 N ARG A 28 -14.833 -14.136 -7.650 1.00 0.00 N ATOM 167 CA ARG A 28 -14.180 -14.999 -8.618 1.00 0.00 C ATOM 168 C ARG A 28 -14.961 -16.295 -8.784 1.00 0.00 C ATOM 169 O ARG A 28 -15.145 -16.779 -9.900 1.00 0.00 O ATOM 170 CB ARG A 28 -12.758 -15.314 -8.154 1.00 0.00 C ATOM 171 CG ARG A 28 -12.051 -16.162 -9.211 1.00 0.00 C ATOM 172 CD ARG A 28 -10.593 -16.374 -8.804 1.00 0.00 C ATOM 173 NE ARG A 28 -10.517 -17.174 -7.588 1.00 0.00 N ATOM 174 CZ ARG A 28 -9.358 -17.377 -6.970 1.00 0.00 C ATOM 175 NH1 ARG A 28 -8.262 -16.854 -7.449 1.00 0.00 N ATOM 176 NH2 ARG A 28 -9.315 -18.098 -5.883 1.00 0.00 N ATOM 0 H ARG A 28 -14.246 -13.854 -6.865 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.144 -14.483 -9.577 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.206 -14.389 -7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -12.784 -15.847 -7.203 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.553 -17.123 -9.317 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.101 -15.668 -10.181 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.053 -16.872 -9.609 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.109 -15.410 -8.644 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.368 -17.585 -7.205 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.295 -16.289 -8.298 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.373 -17.010 -6.974 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.171 -18.506 -5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.425 -18.254 -5.409 1.00 0.00 H new ATOM 190 N GLU A 29 -15.417 -16.852 -7.669 1.00 0.00 N ATOM 191 CA GLU A 29 -16.177 -18.094 -7.708 1.00 0.00 C ATOM 192 C GLU A 29 -17.463 -17.913 -8.503 1.00 0.00 C ATOM 193 O GLU A 29 -17.827 -18.769 -9.307 1.00 0.00 O ATOM 194 CB GLU A 29 -16.516 -18.544 -6.286 1.00 0.00 C ATOM 195 CG GLU A 29 -15.240 -18.988 -5.571 1.00 0.00 C ATOM 196 CD GLU A 29 -15.554 -19.363 -4.126 1.00 0.00 C ATOM 197 OE1 GLU A 29 -16.719 -19.323 -3.765 1.00 0.00 O ATOM 198 OE2 GLU A 29 -14.627 -19.686 -3.404 1.00 0.00 O ATOM 0 H GLU A 29 -15.275 -16.467 -6.735 1.00 0.00 H new ATOM 0 HA GLU A 29 -15.566 -18.854 -8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.987 -17.728 -5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.233 -19.364 -6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.801 -19.841 -6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.502 -18.186 -5.595 1.00 0.00 H new ATOM 205 N ALA A 30 -18.151 -16.801 -8.273 1.00 0.00 N ATOM 206 CA ALA A 30 -19.398 -16.529 -8.978 1.00 0.00 C ATOM 207 C ALA A 30 -19.153 -16.355 -10.472 1.00 0.00 C ATOM 208 O ALA A 30 -19.791 -17.008 -11.297 1.00 0.00 O ATOM 209 CB ALA A 30 -20.045 -15.263 -8.420 1.00 0.00 C ATOM 0 H ALA A 30 -17.870 -16.079 -7.610 1.00 0.00 H new ATOM 0 HA ALA A 30 -20.064 -17.379 -8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -20.976 -15.066 -8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -20.254 -15.399 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.367 -14.420 -8.551 1.00 0.00 H new ATOM 215 N PHE A 31 -18.229 -15.470 -10.815 1.00 0.00 N ATOM 216 CA PHE A 31 -17.924 -15.208 -12.214 1.00 0.00 C ATOM 217 C PHE A 31 -17.625 -16.506 -12.945 1.00 0.00 C ATOM 218 O PHE A 31 -18.184 -16.763 -14.007 1.00 0.00 O ATOM 219 CB PHE A 31 -16.710 -14.287 -12.313 1.00 0.00 C ATOM 220 CG PHE A 31 -16.528 -13.838 -13.747 1.00 0.00 C ATOM 221 CD1 PHE A 31 -17.179 -12.686 -14.205 1.00 0.00 C ATOM 222 CD2 PHE A 31 -15.705 -14.564 -14.615 1.00 0.00 C ATOM 223 CE1 PHE A 31 -17.007 -12.258 -15.528 1.00 0.00 C ATOM 224 CE2 PHE A 31 -15.530 -14.132 -15.939 1.00 0.00 C ATOM 225 CZ PHE A 31 -16.181 -12.978 -16.396 1.00 0.00 C ATOM 0 H PHE A 31 -17.681 -14.925 -10.150 1.00 0.00 H new ATOM 0 HA PHE A 31 -18.790 -14.731 -12.673 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -16.844 -13.421 -11.665 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -15.817 -14.808 -11.968 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -17.816 -12.126 -13.536 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -15.205 -15.456 -14.267 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -17.513 -11.370 -15.878 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -14.892 -14.691 -16.608 1.00 0.00 H new ATOM 0 HZ PHE A 31 -16.045 -12.646 -17.415 1.00 0.00 H new ATOM 235 N ARG A 32 -16.754 -17.322 -12.367 1.00 0.00 N ATOM 236 CA ARG A 32 -16.397 -18.603 -12.976 1.00 0.00 C ATOM 237 C ARG A 32 -17.585 -19.557 -12.986 1.00 0.00 C ATOM 238 O ARG A 32 -17.812 -20.269 -13.965 1.00 0.00 O ATOM 239 CB ARG A 32 -15.238 -19.240 -12.207 1.00 0.00 C ATOM 240 CG ARG A 32 -13.959 -18.434 -12.442 1.00 0.00 C ATOM 241 CD ARG A 32 -12.825 -19.017 -11.597 1.00 0.00 C ATOM 242 NE ARG A 32 -12.530 -20.381 -12.022 1.00 0.00 N ATOM 243 CZ ARG A 32 -11.660 -21.134 -11.358 1.00 0.00 C ATOM 244 NH1 ARG A 32 -11.051 -20.656 -10.307 1.00 0.00 N ATOM 245 NH2 ARG A 32 -11.413 -22.351 -11.758 1.00 0.00 N ATOM 0 H ARG A 32 -16.283 -17.125 -11.484 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.096 -18.415 -14.007 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.469 -19.272 -11.142 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.095 -20.270 -12.533 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.690 -18.459 -13.498 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.122 -17.389 -12.179 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.934 -18.397 -11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.105 -19.009 -10.544 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.000 -20.763 -12.843 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.243 -19.704 -9.995 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.383 -21.235 -9.797 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.888 -22.724 -12.580 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.745 -22.930 -11.249 1.00 0.00 H new ATOM 259 N GLU A 33 -18.334 -19.571 -11.893 1.00 0.00 N ATOM 260 CA GLU A 33 -19.492 -20.449 -11.782 1.00 0.00 C ATOM 261 C GLU A 33 -20.509 -20.139 -12.871 1.00 0.00 C ATOM 262 O GLU A 33 -21.266 -21.011 -13.291 1.00 0.00 O ATOM 263 CB GLU A 33 -20.146 -20.283 -10.409 1.00 0.00 C ATOM 264 CG GLU A 33 -21.305 -21.273 -10.270 1.00 0.00 C ATOM 265 CD GLU A 33 -21.906 -21.178 -8.872 1.00 0.00 C ATOM 266 OE1 GLU A 33 -21.267 -20.593 -8.012 1.00 0.00 O ATOM 267 OE2 GLU A 33 -22.998 -21.687 -8.683 1.00 0.00 O ATOM 0 H GLU A 33 -18.163 -18.988 -11.074 1.00 0.00 H new ATOM 0 HA GLU A 33 -19.153 -21.478 -11.901 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -19.412 -20.454 -9.622 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -20.510 -19.262 -10.289 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -22.068 -21.060 -11.018 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -20.952 -22.288 -10.455 1.00 0.00 H new ATOM 274 N PHE A 34 -20.521 -18.890 -13.326 1.00 0.00 N ATOM 275 CA PHE A 34 -21.447 -18.465 -14.374 1.00 0.00 C ATOM 276 C PHE A 34 -20.725 -18.345 -15.709 1.00 0.00 C ATOM 277 O PHE A 34 -21.339 -18.007 -16.722 1.00 0.00 O ATOM 278 CB PHE A 34 -22.082 -17.119 -13.997 1.00 0.00 C ATOM 279 CG PHE A 34 -23.180 -17.346 -12.979 1.00 0.00 C ATOM 280 CD1 PHE A 34 -24.385 -17.933 -13.380 1.00 0.00 C ATOM 281 CD2 PHE A 34 -22.993 -16.972 -11.644 1.00 0.00 C ATOM 282 CE1 PHE A 34 -25.403 -18.147 -12.446 1.00 0.00 C ATOM 283 CE2 PHE A 34 -24.012 -17.188 -10.710 1.00 0.00 C ATOM 284 CZ PHE A 34 -25.217 -17.775 -11.111 1.00 0.00 C ATOM 0 H PHE A 34 -19.901 -18.154 -12.987 1.00 0.00 H new ATOM 0 HA PHE A 34 -22.231 -19.216 -14.471 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -21.325 -16.450 -13.588 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -22.489 -16.635 -14.885 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -24.529 -18.221 -14.411 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -22.063 -16.517 -11.335 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -26.333 -18.600 -12.756 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -23.868 -16.901 -9.679 1.00 0.00 H new ATOM 0 HZ PHE A 34 -26.003 -17.941 -10.390 1.00 0.00 H new ATOM 294 N ASP A 35 -19.421 -18.631 -15.714 1.00 0.00 N ATOM 295 CA ASP A 35 -18.650 -18.549 -16.947 1.00 0.00 C ATOM 296 C ASP A 35 -18.813 -19.827 -17.759 1.00 0.00 C ATOM 297 O ASP A 35 -18.039 -20.771 -17.611 1.00 0.00 O ATOM 298 CB ASP A 35 -17.173 -18.337 -16.620 1.00 0.00 C ATOM 299 CG ASP A 35 -16.415 -17.882 -17.859 1.00 0.00 C ATOM 300 OD1 ASP A 35 -16.617 -16.753 -18.266 1.00 0.00 O ATOM 301 OD2 ASP A 35 -15.638 -18.661 -18.374 1.00 0.00 O ATOM 0 H ASP A 35 -18.889 -18.916 -14.892 1.00 0.00 H new ATOM 0 HA ASP A 35 -19.018 -17.707 -17.534 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -17.072 -17.592 -15.830 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -16.741 -19.264 -16.242 1.00 0.00 H new ATOM 306 N LYS A 36 -19.825 -19.850 -18.616 1.00 0.00 N ATOM 307 CA LYS A 36 -20.081 -21.019 -19.448 1.00 0.00 C ATOM 308 C LYS A 36 -18.995 -21.172 -20.503 1.00 0.00 C ATOM 309 O LYS A 36 -19.260 -21.060 -21.700 1.00 0.00 O ATOM 310 CB LYS A 36 -21.435 -20.874 -20.133 1.00 0.00 C ATOM 311 CG LYS A 36 -21.836 -22.210 -20.769 1.00 0.00 C ATOM 312 CD LYS A 36 -23.271 -22.126 -21.318 1.00 0.00 C ATOM 313 CE LYS A 36 -23.269 -21.441 -22.689 1.00 0.00 C ATOM 314 NZ LYS A 36 -22.395 -22.209 -23.620 1.00 0.00 N ATOM 0 H LYS A 36 -20.478 -19.079 -18.753 1.00 0.00 H new ATOM 0 HA LYS A 36 -20.082 -21.905 -18.812 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -22.189 -20.564 -19.409 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -21.387 -20.097 -20.896 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -21.145 -22.460 -21.574 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -21.767 -23.008 -20.030 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -23.696 -23.126 -21.403 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -23.902 -21.569 -20.625 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -24.284 -21.388 -23.084 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -22.910 -20.416 -22.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -22.846 -22.262 -24.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -21.475 -21.732 -23.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -22.253 -23.170 -23.250 1.00 0.00 H new ATOM 328 N ASP A 37 -17.771 -21.426 -20.050 1.00 0.00 N ATOM 329 CA ASP A 37 -16.642 -21.593 -20.962 1.00 0.00 C ATOM 330 C ASP A 37 -15.325 -21.602 -20.190 1.00 0.00 C ATOM 331 O ASP A 37 -14.334 -22.179 -20.638 1.00 0.00 O ATOM 332 CB ASP A 37 -16.627 -20.451 -21.993 1.00 0.00 C ATOM 333 CG ASP A 37 -17.137 -19.166 -21.347 1.00 0.00 C ATOM 334 OD1 ASP A 37 -17.128 -19.095 -20.130 1.00 0.00 O ATOM 335 OD2 ASP A 37 -17.534 -18.274 -22.077 1.00 0.00 O ATOM 0 H ASP A 37 -17.535 -21.521 -19.062 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.754 -22.547 -21.478 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.615 -20.303 -22.370 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.251 -20.712 -22.848 1.00 0.00 H new ATOM 340 N LYS A 38 -15.320 -20.956 -19.033 1.00 0.00 N ATOM 341 CA LYS A 38 -14.115 -20.892 -18.215 1.00 0.00 C ATOM 342 C LYS A 38 -12.952 -20.335 -19.034 1.00 0.00 C ATOM 343 O LYS A 38 -11.910 -20.974 -19.169 1.00 0.00 O ATOM 344 CB LYS A 38 -13.769 -22.292 -17.673 1.00 0.00 C ATOM 345 CG LYS A 38 -13.135 -22.177 -16.282 1.00 0.00 C ATOM 346 CD LYS A 38 -11.806 -21.422 -16.381 1.00 0.00 C ATOM 347 CE LYS A 38 -11.110 -21.438 -15.023 1.00 0.00 C ATOM 348 NZ LYS A 38 -9.789 -20.760 -15.138 1.00 0.00 N ATOM 0 H LYS A 38 -16.128 -20.472 -18.641 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.295 -20.226 -17.371 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.670 -22.903 -17.621 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.082 -22.794 -18.354 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.811 -21.655 -15.606 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.970 -23.170 -15.864 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.168 -21.884 -17.134 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.982 -20.395 -16.699 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.727 -20.933 -14.280 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.976 -22.465 -14.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.312 -20.769 -14.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.202 -21.260 -15.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.929 -19.776 -15.445 1.00 0.00 H new ATOM 362 N ASP A 39 -13.134 -19.141 -19.576 1.00 0.00 N ATOM 363 CA ASP A 39 -12.093 -18.505 -20.378 1.00 0.00 C ATOM 364 C ASP A 39 -11.881 -17.061 -19.938 1.00 0.00 C ATOM 365 O ASP A 39 -11.116 -16.324 -20.558 1.00 0.00 O ATOM 366 CB ASP A 39 -12.485 -18.550 -21.853 1.00 0.00 C ATOM 367 CG ASP A 39 -12.626 -20.000 -22.308 1.00 0.00 C ATOM 368 OD1 ASP A 39 -11.983 -20.854 -21.720 1.00 0.00 O ATOM 369 OD2 ASP A 39 -13.379 -20.235 -23.239 1.00 0.00 O ATOM 0 H ASP A 39 -13.988 -18.592 -19.478 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.159 -19.047 -20.234 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.425 -18.019 -22.005 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -11.731 -18.042 -22.455 1.00 0.00 H new ATOM 374 N GLY A 40 -12.557 -16.664 -18.863 1.00 0.00 N ATOM 375 CA GLY A 40 -12.427 -15.308 -18.352 1.00 0.00 C ATOM 376 C GLY A 40 -13.232 -14.337 -19.200 1.00 0.00 C ATOM 377 O GLY A 40 -12.784 -13.225 -19.473 1.00 0.00 O ATOM 0 H GLY A 40 -13.195 -17.259 -18.334 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.771 -15.269 -17.319 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.378 -15.014 -18.350 1.00 0.00 H new ATOM 381 N TYR A 41 -14.423 -14.763 -19.613 1.00 0.00 N ATOM 382 CA TYR A 41 -15.282 -13.913 -20.431 1.00 0.00 C ATOM 383 C TYR A 41 -16.726 -14.379 -20.366 1.00 0.00 C ATOM 384 O TYR A 41 -16.985 -15.578 -20.321 1.00 0.00 O ATOM 385 CB TYR A 41 -14.821 -13.947 -21.883 1.00 0.00 C ATOM 386 CG TYR A 41 -13.441 -13.348 -21.987 1.00 0.00 C ATOM 387 CD1 TYR A 41 -13.278 -11.959 -21.927 1.00 0.00 C ATOM 388 CD2 TYR A 41 -12.324 -14.178 -22.137 1.00 0.00 C ATOM 389 CE1 TYR A 41 -11.999 -11.401 -22.019 1.00 0.00 C ATOM 390 CE2 TYR A 41 -11.044 -13.619 -22.230 1.00 0.00 C ATOM 391 CZ TYR A 41 -10.882 -12.231 -22.170 1.00 0.00 C ATOM 392 OH TYR A 41 -9.620 -11.678 -22.261 1.00 0.00 O ATOM 0 H TYR A 41 -14.812 -15.681 -19.398 1.00 0.00 H new ATOM 0 HA TYR A 41 -15.216 -12.897 -20.042 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.812 -14.974 -22.249 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -15.518 -13.391 -22.510 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -14.140 -11.319 -21.810 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.450 -15.250 -22.181 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -11.873 -10.329 -21.974 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.182 -14.259 -22.348 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.956 -12.392 -22.361 1.00 0.00 H new ATOM 402 N ILE A 42 -17.665 -13.428 -20.379 1.00 0.00 N ATOM 403 CA ILE A 42 -19.090 -13.764 -20.330 1.00 0.00 C ATOM 404 C ILE A 42 -19.907 -12.657 -20.981 1.00 0.00 C ATOM 405 O ILE A 42 -19.351 -11.701 -21.507 1.00 0.00 O ATOM 406 CB ILE A 42 -19.539 -13.942 -18.873 1.00 0.00 C ATOM 407 CG1 ILE A 42 -19.307 -12.646 -18.097 1.00 0.00 C ATOM 408 CG2 ILE A 42 -18.745 -15.066 -18.219 1.00 0.00 C ATOM 409 CD1 ILE A 42 -19.824 -12.803 -16.670 1.00 0.00 C ATOM 0 H ILE A 42 -17.466 -12.428 -20.423 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.249 -14.697 -20.871 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.600 -14.191 -18.860 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -18.244 -12.403 -18.085 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -19.817 -11.819 -18.590 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.069 -15.187 -17.185 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -18.914 -15.995 -18.763 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -17.683 -14.821 -18.240 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -19.657 -11.878 -16.119 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -20.891 -13.025 -16.692 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -19.294 -13.619 -16.178 1.00 0.00 H new ATOM 421 N ASN A 43 -21.231 -12.793 -20.942 1.00 0.00 N ATOM 422 CA ASN A 43 -22.120 -11.789 -21.528 1.00 0.00 C ATOM 423 C ASN A 43 -23.362 -11.612 -20.666 1.00 0.00 C ATOM 424 O ASN A 43 -23.541 -12.308 -19.668 1.00 0.00 O ATOM 425 CB ASN A 43 -22.521 -12.207 -22.941 1.00 0.00 C ATOM 426 CG ASN A 43 -22.931 -13.678 -22.955 1.00 0.00 C ATOM 427 OD1 ASN A 43 -23.213 -14.237 -24.015 1.00 0.00 O ATOM 428 ND2 ASN A 43 -22.986 -14.340 -21.830 1.00 0.00 N ATOM 0 H ASN A 43 -21.711 -13.584 -20.513 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.589 -10.838 -21.575 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -23.347 -11.588 -23.292 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.689 -12.047 -23.626 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -23.263 -15.322 -21.829 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -22.752 -13.875 -20.953 1.00 0.00 H new ATOM 435 N CYS A 44 -24.212 -10.667 -21.055 1.00 0.00 N ATOM 436 CA CYS A 44 -25.436 -10.394 -20.310 1.00 0.00 C ATOM 437 C CYS A 44 -26.420 -11.553 -20.443 1.00 0.00 C ATOM 438 O CYS A 44 -27.626 -11.374 -20.279 1.00 0.00 O ATOM 439 CB CYS A 44 -26.085 -9.099 -20.819 1.00 0.00 C ATOM 440 SG CYS A 44 -24.884 -7.751 -20.712 1.00 0.00 S ATOM 0 H CYS A 44 -24.077 -10.080 -21.878 1.00 0.00 H new ATOM 0 HA CYS A 44 -25.177 -10.277 -19.258 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -26.417 -9.225 -21.849 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -26.968 -8.863 -20.226 1.00 0.00 H new ATOM 0 HG CYS A 44 -25.485 -6.617 -20.918 1.00 0.00 H new ATOM 446 N ARG A 45 -25.901 -12.742 -20.742 1.00 0.00 N ATOM 447 CA ARG A 45 -26.746 -13.917 -20.896 1.00 0.00 C ATOM 448 C ARG A 45 -27.077 -14.521 -19.536 1.00 0.00 C ATOM 449 O ARG A 45 -28.235 -14.539 -19.124 1.00 0.00 O ATOM 450 CB ARG A 45 -26.031 -14.960 -21.761 1.00 0.00 C ATOM 451 CG ARG A 45 -26.959 -16.156 -21.995 1.00 0.00 C ATOM 452 CD ARG A 45 -26.240 -17.201 -22.846 1.00 0.00 C ATOM 453 NE ARG A 45 -25.990 -16.678 -24.184 1.00 0.00 N ATOM 454 CZ ARG A 45 -26.931 -16.712 -25.121 1.00 0.00 C ATOM 455 NH1 ARG A 45 -28.102 -17.221 -24.853 1.00 0.00 N ATOM 456 NH2 ARG A 45 -26.683 -16.237 -26.312 1.00 0.00 N ATOM 0 H ARG A 45 -24.905 -12.914 -20.881 1.00 0.00 H new ATOM 0 HA ARG A 45 -27.675 -13.615 -21.381 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -25.741 -14.519 -22.715 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -25.115 -15.288 -21.270 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -27.257 -16.591 -21.041 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -27.871 -15.830 -22.495 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -25.297 -17.478 -22.374 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -26.843 -18.107 -22.909 1.00 0.00 H new ATOM 0 HE ARG A 45 -25.077 -16.279 -24.404 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -28.296 -17.593 -23.923 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -28.824 -17.247 -25.573 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -25.767 -15.840 -26.522 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -27.405 -16.263 -27.032 1.00 0.00 H new ATOM 470 N ASP A 46 -26.054 -15.011 -18.842 1.00 0.00 N ATOM 471 CA ASP A 46 -26.241 -15.616 -17.524 1.00 0.00 C ATOM 472 C ASP A 46 -25.969 -14.601 -16.427 1.00 0.00 C ATOM 473 O ASP A 46 -26.194 -14.872 -15.250 1.00 0.00 O ATOM 474 CB ASP A 46 -25.307 -16.818 -17.367 1.00 0.00 C ATOM 475 CG ASP A 46 -25.736 -17.943 -18.307 1.00 0.00 C ATOM 476 OD1 ASP A 46 -26.829 -17.856 -18.842 1.00 0.00 O ATOM 477 OD2 ASP A 46 -24.963 -18.871 -18.482 1.00 0.00 O ATOM 0 H ASP A 46 -25.088 -15.002 -19.168 1.00 0.00 H new ATOM 0 HA ASP A 46 -27.275 -15.950 -17.438 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -24.281 -16.522 -17.586 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -25.324 -17.169 -16.335 1.00 0.00 H new ATOM 482 N LEU A 47 -25.479 -13.434 -16.815 1.00 0.00 N ATOM 483 CA LEU A 47 -25.172 -12.402 -15.841 1.00 0.00 C ATOM 484 C LEU A 47 -26.418 -12.052 -15.033 1.00 0.00 C ATOM 485 O LEU A 47 -26.369 -11.956 -13.806 1.00 0.00 O ATOM 486 CB LEU A 47 -24.661 -11.148 -16.566 1.00 0.00 C ATOM 487 CG LEU A 47 -23.867 -10.263 -15.588 1.00 0.00 C ATOM 488 CD1 LEU A 47 -22.445 -10.824 -15.392 1.00 0.00 C ATOM 489 CD2 LEU A 47 -23.780 -8.834 -16.141 1.00 0.00 C ATOM 0 H LEU A 47 -25.288 -13.181 -17.784 1.00 0.00 H new ATOM 0 HA LEU A 47 -24.403 -12.772 -15.163 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -24.028 -11.435 -17.406 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -25.501 -10.588 -16.977 1.00 0.00 H new ATOM 0 HG LEU A 47 -24.380 -10.254 -14.626 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -21.895 -10.188 -14.698 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -22.505 -11.835 -14.988 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -21.927 -10.847 -16.351 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -23.218 -8.209 -15.447 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -23.276 -8.848 -17.107 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -24.785 -8.429 -16.262 1.00 0.00 H new ATOM 501 N GLY A 48 -27.527 -11.865 -15.730 1.00 0.00 N ATOM 502 CA GLY A 48 -28.780 -11.531 -15.068 1.00 0.00 C ATOM 503 C GLY A 48 -29.165 -12.631 -14.082 1.00 0.00 C ATOM 504 O GLY A 48 -29.689 -12.357 -13.002 1.00 0.00 O ATOM 0 H GLY A 48 -27.587 -11.938 -16.746 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -28.680 -10.581 -14.543 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -29.569 -11.405 -15.809 1.00 0.00 H new ATOM 508 N ASN A 49 -28.893 -13.879 -14.457 1.00 0.00 N ATOM 509 CA ASN A 49 -29.210 -15.011 -13.591 1.00 0.00 C ATOM 510 C ASN A 49 -28.354 -14.979 -12.327 1.00 0.00 C ATOM 511 O ASN A 49 -28.792 -15.401 -11.256 1.00 0.00 O ATOM 512 CB ASN A 49 -28.980 -16.320 -14.339 1.00 0.00 C ATOM 513 CG ASN A 49 -30.051 -16.499 -15.409 1.00 0.00 C ATOM 514 OD1 ASN A 49 -31.098 -15.854 -15.356 1.00 0.00 O ATOM 515 ND2 ASN A 49 -29.848 -17.340 -16.385 1.00 0.00 N ATOM 0 H ASN A 49 -28.459 -14.130 -15.345 1.00 0.00 H new ATOM 0 HA ASN A 49 -30.259 -14.941 -13.302 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -27.991 -16.318 -14.798 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -29.006 -17.157 -13.642 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -30.558 -17.464 -17.107 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -28.979 -17.873 -16.426 1.00 0.00 H new ATOM 522 N CYS A 50 -27.133 -14.478 -12.458 1.00 0.00 N ATOM 523 CA CYS A 50 -26.220 -14.395 -11.323 1.00 0.00 C ATOM 524 C CYS A 50 -26.754 -13.444 -10.263 1.00 0.00 C ATOM 525 O CYS A 50 -26.586 -13.684 -9.073 1.00 0.00 O ATOM 526 CB CYS A 50 -24.842 -13.919 -11.797 1.00 0.00 C ATOM 527 SG CYS A 50 -23.606 -14.271 -10.523 1.00 0.00 S ATOM 0 H CYS A 50 -26.752 -14.124 -13.335 1.00 0.00 H new ATOM 0 HA CYS A 50 -26.132 -15.388 -10.882 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -24.573 -14.420 -12.727 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -24.868 -12.850 -12.007 1.00 0.00 H new ATOM 0 HG CYS A 50 -23.417 -15.555 -10.444 1.00 0.00 H new ATOM 533 N MET A 51 -27.387 -12.365 -10.694 1.00 0.00 N ATOM 534 CA MET A 51 -27.923 -11.388 -9.766 1.00 0.00 C ATOM 535 C MET A 51 -28.986 -12.022 -8.889 1.00 0.00 C ATOM 536 O MET A 51 -29.114 -11.688 -7.710 1.00 0.00 O ATOM 537 CB MET A 51 -28.526 -10.215 -10.534 1.00 0.00 C ATOM 538 CG MET A 51 -27.455 -9.579 -11.429 1.00 0.00 C ATOM 539 SD MET A 51 -26.169 -8.829 -10.393 1.00 0.00 S ATOM 540 CE MET A 51 -26.110 -7.213 -11.208 1.00 0.00 C ATOM 0 H MET A 51 -27.541 -12.146 -11.678 1.00 0.00 H new ATOM 0 HA MET A 51 -27.111 -11.027 -9.135 1.00 0.00 H new ATOM 0 HB2 MET A 51 -29.364 -10.557 -11.141 1.00 0.00 H new ATOM 0 HB3 MET A 51 -28.918 -9.474 -9.837 1.00 0.00 H new ATOM 0 HG2 MET A 51 -27.017 -10.334 -12.082 1.00 0.00 H new ATOM 0 HG3 MET A 51 -27.905 -8.823 -12.072 1.00 0.00 H new ATOM 0 HE1 MET A 51 -25.367 -6.584 -10.716 1.00 0.00 H new ATOM 0 HE2 MET A 51 -25.839 -7.344 -12.256 1.00 0.00 H new ATOM 0 HE3 MET A 51 -27.088 -6.737 -11.143 1.00 0.00 H new ATOM 550 N ARG A 52 -29.752 -12.930 -9.472 1.00 0.00 N ATOM 551 CA ARG A 52 -30.811 -13.593 -8.738 1.00 0.00 C ATOM 552 C ARG A 52 -30.249 -14.314 -7.517 1.00 0.00 C ATOM 553 O ARG A 52 -30.903 -14.399 -6.480 1.00 0.00 O ATOM 554 CB ARG A 52 -31.533 -14.600 -9.635 1.00 0.00 C ATOM 555 CG ARG A 52 -32.873 -15.019 -8.988 1.00 0.00 C ATOM 556 CD ARG A 52 -33.987 -14.076 -9.451 1.00 0.00 C ATOM 557 NE ARG A 52 -34.269 -14.295 -10.866 1.00 0.00 N ATOM 558 CZ ARG A 52 -35.033 -13.454 -11.553 1.00 0.00 C ATOM 559 NH1 ARG A 52 -35.539 -12.407 -10.964 1.00 0.00 N ATOM 560 NH2 ARG A 52 -35.273 -13.674 -12.816 1.00 0.00 N ATOM 0 H ARG A 52 -29.659 -13.222 -10.445 1.00 0.00 H new ATOM 0 HA ARG A 52 -31.519 -12.833 -8.408 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -31.715 -14.161 -10.616 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -30.905 -15.477 -9.790 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -33.115 -16.046 -9.262 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -32.788 -14.991 -7.902 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -34.888 -14.247 -8.861 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -33.690 -13.040 -9.287 1.00 0.00 H new ATOM 0 HE ARG A 52 -33.872 -15.109 -11.336 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -35.348 -12.235 -9.977 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -36.126 -11.760 -11.490 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -34.874 -14.492 -13.276 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -35.860 -13.028 -13.344 1.00 0.00 H new ATOM 574 N THR A 53 -29.037 -14.838 -7.651 1.00 0.00 N ATOM 575 CA THR A 53 -28.399 -15.550 -6.557 1.00 0.00 C ATOM 576 C THR A 53 -28.167 -14.615 -5.372 1.00 0.00 C ATOM 577 O THR A 53 -28.092 -15.051 -4.223 1.00 0.00 O ATOM 578 CB THR A 53 -27.055 -16.144 -7.043 1.00 0.00 C ATOM 579 OG1 THR A 53 -26.872 -17.419 -6.442 1.00 0.00 O ATOM 580 CG2 THR A 53 -25.870 -15.229 -6.668 1.00 0.00 C ATOM 0 H THR A 53 -28.480 -14.782 -8.504 1.00 0.00 H new ATOM 0 HA THR A 53 -29.053 -16.358 -6.230 1.00 0.00 H new ATOM 0 HB THR A 53 -27.086 -16.232 -8.129 1.00 0.00 H new ATOM 0 HG1 THR A 53 -26.024 -17.805 -6.745 1.00 0.00 H new ATOM 0 HG21 THR A 53 -24.940 -15.674 -7.023 1.00 0.00 H new ATOM 0 HG22 THR A 53 -26.005 -14.251 -7.131 1.00 0.00 H new ATOM 0 HG23 THR A 53 -25.827 -15.115 -5.585 1.00 0.00 H new ATOM 588 N MET A 54 -28.022 -13.326 -5.668 1.00 0.00 N ATOM 589 CA MET A 54 -27.763 -12.335 -4.633 1.00 0.00 C ATOM 590 C MET A 54 -29.029 -11.579 -4.293 1.00 0.00 C ATOM 591 O MET A 54 -28.983 -10.611 -3.540 1.00 0.00 O ATOM 592 CB MET A 54 -26.684 -11.342 -5.107 1.00 0.00 C ATOM 593 CG MET A 54 -25.999 -10.702 -3.893 1.00 0.00 C ATOM 594 SD MET A 54 -24.835 -11.884 -3.174 1.00 0.00 S ATOM 595 CE MET A 54 -23.796 -10.679 -2.318 1.00 0.00 C ATOM 0 H MET A 54 -28.080 -12.946 -6.613 1.00 0.00 H new ATOM 0 HA MET A 54 -27.410 -12.855 -3.742 1.00 0.00 H new ATOM 0 HB2 MET A 54 -25.947 -11.858 -5.722 1.00 0.00 H new ATOM 0 HB3 MET A 54 -27.135 -10.570 -5.730 1.00 0.00 H new ATOM 0 HG2 MET A 54 -25.475 -9.794 -4.193 1.00 0.00 H new ATOM 0 HG3 MET A 54 -26.744 -10.410 -3.152 1.00 0.00 H new ATOM 0 HE1 MET A 54 -22.993 -11.198 -1.794 1.00 0.00 H new ATOM 0 HE2 MET A 54 -23.368 -9.987 -3.043 1.00 0.00 H new ATOM 0 HE3 MET A 54 -24.399 -10.124 -1.599 1.00 0.00 H new ATOM 605 N GLY A 55 -30.155 -12.029 -4.852 1.00 0.00 N ATOM 606 CA GLY A 55 -31.452 -11.389 -4.609 1.00 0.00 C ATOM 607 C GLY A 55 -31.288 -9.917 -4.240 1.00 0.00 C ATOM 608 O GLY A 55 -31.908 -9.431 -3.291 1.00 0.00 O ATOM 0 H GLY A 55 -30.196 -12.834 -5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -32.074 -11.475 -5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -31.972 -11.911 -3.806 1.00 0.00 H new ATOM 612 N TYR A 56 -30.433 -9.217 -4.986 1.00 0.00 N ATOM 613 CA TYR A 56 -30.180 -7.806 -4.717 1.00 0.00 C ATOM 614 C TYR A 56 -31.320 -6.955 -5.277 1.00 0.00 C ATOM 615 O TYR A 56 -31.093 -5.921 -5.898 1.00 0.00 O ATOM 616 CB TYR A 56 -28.827 -7.396 -5.344 1.00 0.00 C ATOM 617 CG TYR A 56 -29.029 -6.969 -6.787 1.00 0.00 C ATOM 618 CD1 TYR A 56 -29.817 -7.748 -7.643 1.00 0.00 C ATOM 619 CD2 TYR A 56 -28.468 -5.774 -7.250 1.00 0.00 C ATOM 620 CE1 TYR A 56 -30.033 -7.335 -8.960 1.00 0.00 C ATOM 621 CE2 TYR A 56 -28.689 -5.363 -8.569 1.00 0.00 C ATOM 622 CZ TYR A 56 -29.469 -6.146 -9.425 1.00 0.00 C ATOM 623 OH TYR A 56 -29.685 -5.745 -10.727 1.00 0.00 O ATOM 0 H TYR A 56 -29.910 -9.601 -5.773 1.00 0.00 H new ATOM 0 HA TYR A 56 -30.130 -7.642 -3.641 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -28.385 -6.579 -4.773 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -28.128 -8.231 -5.298 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -30.257 -8.667 -7.286 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -27.865 -5.169 -6.590 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -30.638 -7.938 -9.621 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -28.257 -4.440 -8.926 1.00 0.00 H new ATOM 0 HH TYR A 56 -29.223 -4.896 -10.889 1.00 0.00 H new ATOM 633 N MET A 57 -32.545 -7.405 -5.074 1.00 0.00 N ATOM 634 CA MET A 57 -33.700 -6.685 -5.592 1.00 0.00 C ATOM 635 C MET A 57 -33.713 -6.751 -7.117 1.00 0.00 C ATOM 636 O MET A 57 -33.753 -5.724 -7.790 1.00 0.00 O ATOM 637 CB MET A 57 -33.661 -5.221 -5.139 1.00 0.00 C ATOM 638 CG MET A 57 -33.275 -5.157 -3.657 1.00 0.00 C ATOM 639 SD MET A 57 -33.742 -3.544 -2.989 1.00 0.00 S ATOM 640 CE MET A 57 -32.208 -2.679 -3.409 1.00 0.00 C ATOM 0 H MET A 57 -32.768 -8.257 -4.560 1.00 0.00 H new ATOM 0 HA MET A 57 -34.605 -7.151 -5.203 1.00 0.00 H new ATOM 0 HB2 MET A 57 -32.942 -4.662 -5.738 1.00 0.00 H new ATOM 0 HB3 MET A 57 -34.634 -4.755 -5.293 1.00 0.00 H new ATOM 0 HG2 MET A 57 -33.776 -5.952 -3.104 1.00 0.00 H new ATOM 0 HG3 MET A 57 -32.203 -5.315 -3.541 1.00 0.00 H new ATOM 0 HE1 MET A 57 -32.274 -1.641 -3.082 1.00 0.00 H new ATOM 0 HE2 MET A 57 -31.369 -3.164 -2.911 1.00 0.00 H new ATOM 0 HE3 MET A 57 -32.057 -2.710 -4.488 1.00 0.00 H new ATOM 650 N PRO A 58 -33.670 -7.939 -7.671 1.00 0.00 N ATOM 651 CA PRO A 58 -33.665 -8.138 -9.148 1.00 0.00 C ATOM 652 C PRO A 58 -35.039 -7.916 -9.776 1.00 0.00 C ATOM 653 O PRO A 58 -35.867 -8.824 -9.814 1.00 0.00 O ATOM 654 CB PRO A 58 -33.221 -9.601 -9.312 1.00 0.00 C ATOM 655 CG PRO A 58 -33.660 -10.282 -8.052 1.00 0.00 C ATOM 656 CD PRO A 58 -33.620 -9.223 -6.947 1.00 0.00 C ATOM 0 HA PRO A 58 -33.013 -7.424 -9.650 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -33.681 -10.057 -10.188 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -32.142 -9.674 -9.445 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -34.665 -10.690 -8.162 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -33.001 -11.117 -7.813 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -34.463 -9.328 -6.265 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -32.713 -9.307 -6.348 1.00 0.00 H new ATOM 664 N THR A 59 -35.271 -6.706 -10.274 1.00 0.00 N ATOM 665 CA THR A 59 -36.544 -6.382 -10.909 1.00 0.00 C ATOM 666 C THR A 59 -36.455 -6.605 -12.411 1.00 0.00 C ATOM 667 O THR A 59 -35.444 -6.294 -13.035 1.00 0.00 O ATOM 668 CB THR A 59 -36.916 -4.932 -10.638 1.00 0.00 C ATOM 669 OG1 THR A 59 -36.121 -4.083 -11.449 1.00 0.00 O ATOM 670 CG2 THR A 59 -36.676 -4.611 -9.157 1.00 0.00 C ATOM 0 H THR A 59 -34.600 -5.938 -10.251 1.00 0.00 H new ATOM 0 HA THR A 59 -37.311 -7.035 -10.491 1.00 0.00 H new ATOM 0 HB THR A 59 -37.968 -4.773 -10.873 1.00 0.00 H new ATOM 0 HG1 THR A 59 -36.553 -3.207 -11.527 1.00 0.00 H new ATOM 0 HG21 THR A 59 -36.942 -3.572 -8.962 1.00 0.00 H new ATOM 0 HG22 THR A 59 -37.291 -5.265 -8.539 1.00 0.00 H new ATOM 0 HG23 THR A 59 -35.624 -4.767 -8.917 1.00 0.00 H new ATOM 678 N GLU A 60 -37.518 -7.150 -12.983 1.00 0.00 N ATOM 679 CA GLU A 60 -37.544 -7.424 -14.420 1.00 0.00 C ATOM 680 C GLU A 60 -36.922 -6.272 -15.200 1.00 0.00 C ATOM 681 O GLU A 60 -36.352 -6.470 -16.270 1.00 0.00 O ATOM 682 CB GLU A 60 -38.985 -7.634 -14.890 1.00 0.00 C ATOM 683 CG GLU A 60 -39.542 -8.917 -14.271 1.00 0.00 C ATOM 684 CD GLU A 60 -40.996 -9.109 -14.691 1.00 0.00 C ATOM 685 OE1 GLU A 60 -41.478 -8.306 -15.473 1.00 0.00 O ATOM 686 OE2 GLU A 60 -41.607 -10.056 -14.222 1.00 0.00 O ATOM 0 H GLU A 60 -38.368 -7.411 -12.484 1.00 0.00 H new ATOM 0 HA GLU A 60 -36.965 -8.329 -14.603 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -39.600 -6.782 -14.602 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -39.018 -7.698 -15.978 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -38.947 -9.773 -14.589 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -39.472 -8.867 -13.184 1.00 0.00 H new ATOM 693 N MET A 61 -37.031 -5.066 -14.652 1.00 0.00 N ATOM 694 CA MET A 61 -36.467 -3.884 -15.299 1.00 0.00 C ATOM 695 C MET A 61 -34.984 -3.747 -14.989 1.00 0.00 C ATOM 696 O MET A 61 -34.195 -3.356 -15.847 1.00 0.00 O ATOM 697 CB MET A 61 -37.215 -2.634 -14.824 1.00 0.00 C ATOM 698 CG MET A 61 -38.588 -2.566 -15.499 1.00 0.00 C ATOM 699 SD MET A 61 -38.388 -2.205 -17.262 1.00 0.00 S ATOM 700 CE MET A 61 -38.356 -0.398 -17.122 1.00 0.00 C ATOM 0 H MET A 61 -37.502 -4.881 -13.766 1.00 0.00 H new ATOM 0 HA MET A 61 -36.580 -3.993 -16.378 1.00 0.00 H new ATOM 0 HB2 MET A 61 -37.333 -2.659 -13.741 1.00 0.00 H new ATOM 0 HB3 MET A 61 -36.638 -1.741 -15.062 1.00 0.00 H new ATOM 0 HG2 MET A 61 -39.114 -3.512 -15.370 1.00 0.00 H new ATOM 0 HG3 MET A 61 -39.197 -1.795 -15.027 1.00 0.00 H new ATOM 0 HE1 MET A 61 -38.237 0.042 -18.112 1.00 0.00 H new ATOM 0 HE2 MET A 61 -39.290 -0.051 -16.680 1.00 0.00 H new ATOM 0 HE3 MET A 61 -37.521 -0.097 -16.489 1.00 0.00 H new ATOM 710 N GLU A 62 -34.610 -4.075 -13.760 1.00 0.00 N ATOM 711 CA GLU A 62 -33.215 -3.986 -13.351 1.00 0.00 C ATOM 712 C GLU A 62 -32.382 -5.037 -14.062 1.00 0.00 C ATOM 713 O GLU A 62 -31.164 -4.943 -14.102 1.00 0.00 O ATOM 714 CB GLU A 62 -33.091 -4.145 -11.830 1.00 0.00 C ATOM 715 CG GLU A 62 -33.453 -2.823 -11.145 1.00 0.00 C ATOM 716 CD GLU A 62 -33.417 -2.999 -9.635 1.00 0.00 C ATOM 717 OE1 GLU A 62 -32.947 -4.034 -9.195 1.00 0.00 O ATOM 718 OE2 GLU A 62 -33.850 -2.096 -8.940 1.00 0.00 O ATOM 0 H GLU A 62 -35.247 -4.403 -13.034 1.00 0.00 H new ATOM 0 HA GLU A 62 -32.838 -3.002 -13.629 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -33.751 -4.939 -11.482 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -32.074 -4.437 -11.566 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -32.754 -2.043 -11.446 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -34.445 -2.500 -11.459 1.00 0.00 H new ATOM 725 N LEU A 63 -33.047 -6.037 -14.621 1.00 0.00 N ATOM 726 CA LEU A 63 -32.356 -7.103 -15.340 1.00 0.00 C ATOM 727 C LEU A 63 -32.382 -6.844 -16.835 1.00 0.00 C ATOM 728 O LEU A 63 -31.554 -7.369 -17.575 1.00 0.00 O ATOM 729 CB LEU A 63 -33.022 -8.455 -15.027 1.00 0.00 C ATOM 730 CG LEU A 63 -32.450 -9.021 -13.716 1.00 0.00 C ATOM 731 CD1 LEU A 63 -30.974 -9.450 -13.912 1.00 0.00 C ATOM 732 CD2 LEU A 63 -32.538 -7.956 -12.612 1.00 0.00 C ATOM 0 H LEU A 63 -34.062 -6.135 -14.592 1.00 0.00 H new ATOM 0 HA LEU A 63 -31.316 -7.128 -15.014 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -34.101 -8.329 -14.940 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -32.848 -9.155 -15.844 1.00 0.00 H new ATOM 0 HG LEU A 63 -33.033 -9.895 -13.426 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -30.583 -9.848 -12.976 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -30.918 -10.217 -14.684 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -30.381 -8.587 -14.214 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -32.132 -8.359 -11.684 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -31.964 -7.078 -12.907 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -33.580 -7.675 -12.460 1.00 0.00 H new ATOM 744 N ILE A 64 -33.343 -6.041 -17.274 1.00 0.00 N ATOM 745 CA ILE A 64 -33.478 -5.731 -18.691 1.00 0.00 C ATOM 746 C ILE A 64 -32.802 -4.410 -19.013 1.00 0.00 C ATOM 747 O ILE A 64 -32.261 -4.225 -20.102 1.00 0.00 O ATOM 748 CB ILE A 64 -34.961 -5.666 -19.068 1.00 0.00 C ATOM 749 CG1 ILE A 64 -35.579 -7.070 -18.981 1.00 0.00 C ATOM 750 CG2 ILE A 64 -35.105 -5.138 -20.497 1.00 0.00 C ATOM 751 CD1 ILE A 64 -37.105 -6.966 -19.048 1.00 0.00 C ATOM 0 H ILE A 64 -34.036 -5.595 -16.673 1.00 0.00 H new ATOM 0 HA ILE A 64 -32.994 -6.518 -19.270 1.00 0.00 H new ATOM 0 HB ILE A 64 -35.477 -4.998 -18.378 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -35.211 -7.691 -19.797 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -35.278 -7.554 -18.052 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -36.161 -5.093 -20.763 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -34.671 -4.140 -20.562 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -34.586 -5.805 -21.185 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -37.541 -7.963 -18.986 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -37.465 -6.360 -18.216 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -37.397 -6.500 -19.989 1.00 0.00 H new ATOM 763 N GLU A 65 -32.843 -3.498 -18.057 1.00 0.00 N ATOM 764 CA GLU A 65 -32.231 -2.194 -18.246 1.00 0.00 C ATOM 765 C GLU A 65 -30.724 -2.290 -18.109 1.00 0.00 C ATOM 766 O GLU A 65 -29.981 -1.768 -18.934 1.00 0.00 O ATOM 767 CB GLU A 65 -32.775 -1.201 -17.215 1.00 0.00 C ATOM 768 CG GLU A 65 -34.254 -0.920 -17.499 1.00 0.00 C ATOM 769 CD GLU A 65 -34.397 -0.158 -18.812 1.00 0.00 C ATOM 770 OE1 GLU A 65 -33.428 0.459 -19.224 1.00 0.00 O ATOM 771 OE2 GLU A 65 -35.472 -0.202 -19.387 1.00 0.00 O ATOM 0 H GLU A 65 -33.289 -3.634 -17.150 1.00 0.00 H new ATOM 0 HA GLU A 65 -32.475 -1.843 -19.249 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -32.658 -1.605 -16.210 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -32.205 -0.273 -17.253 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -34.807 -1.858 -17.551 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -34.686 -0.340 -16.683 1.00 0.00 H new ATOM 778 N LEU A 66 -30.278 -2.958 -17.060 1.00 0.00 N ATOM 779 CA LEU A 66 -28.839 -3.098 -16.823 1.00 0.00 C ATOM 780 C LEU A 66 -28.194 -3.999 -17.866 1.00 0.00 C ATOM 781 O LEU A 66 -27.106 -3.718 -18.360 1.00 0.00 O ATOM 782 CB LEU A 66 -28.590 -3.667 -15.425 1.00 0.00 C ATOM 783 CG LEU A 66 -28.760 -2.556 -14.371 1.00 0.00 C ATOM 784 CD1 LEU A 66 -27.610 -1.523 -14.473 1.00 0.00 C ATOM 785 CD2 LEU A 66 -30.110 -1.851 -14.587 1.00 0.00 C ATOM 0 H LEU A 66 -30.874 -3.408 -16.365 1.00 0.00 H new ATOM 0 HA LEU A 66 -28.388 -2.108 -16.899 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -29.287 -4.481 -15.224 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -27.585 -4.086 -15.366 1.00 0.00 H new ATOM 0 HG LEU A 66 -28.732 -3.006 -13.379 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -27.750 -0.747 -13.720 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -26.656 -2.023 -14.306 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -27.614 -1.071 -15.465 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -30.233 -1.064 -13.843 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -30.136 -1.413 -15.585 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -30.919 -2.575 -14.487 1.00 0.00 H new ATOM 797 N SER A 67 -28.869 -5.086 -18.182 1.00 0.00 N ATOM 798 CA SER A 67 -28.347 -6.035 -19.148 1.00 0.00 C ATOM 799 C SER A 67 -28.103 -5.369 -20.485 1.00 0.00 C ATOM 800 O SER A 67 -26.968 -5.287 -20.955 1.00 0.00 O ATOM 801 CB SER A 67 -29.337 -7.188 -19.321 1.00 0.00 C ATOM 802 OG SER A 67 -30.622 -6.659 -19.630 1.00 0.00 O ATOM 0 H SER A 67 -29.776 -5.335 -17.787 1.00 0.00 H new ATOM 0 HA SER A 67 -27.396 -6.417 -18.776 1.00 0.00 H new ATOM 0 HB2 SER A 67 -29.003 -7.853 -20.117 1.00 0.00 H new ATOM 0 HB3 SER A 67 -29.385 -7.782 -18.408 1.00 0.00 H new ATOM 0 HG SER A 67 -31.123 -6.512 -18.801 1.00 0.00 H new ATOM 808 N GLN A 68 -29.168 -4.899 -21.102 1.00 0.00 N ATOM 809 CA GLN A 68 -29.048 -4.255 -22.400 1.00 0.00 C ATOM 810 C GLN A 68 -28.073 -3.086 -22.330 1.00 0.00 C ATOM 811 O GLN A 68 -27.350 -2.813 -23.288 1.00 0.00 O ATOM 812 CB GLN A 68 -30.427 -3.758 -22.869 1.00 0.00 C ATOM 813 CG GLN A 68 -31.343 -4.947 -23.165 1.00 0.00 C ATOM 814 CD GLN A 68 -32.742 -4.453 -23.525 1.00 0.00 C ATOM 815 OE1 GLN A 68 -33.430 -3.865 -22.690 1.00 0.00 O ATOM 816 NE2 GLN A 68 -33.208 -4.661 -24.727 1.00 0.00 N ATOM 0 H GLN A 68 -30.118 -4.948 -20.733 1.00 0.00 H new ATOM 0 HA GLN A 68 -28.666 -4.984 -23.114 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -30.875 -3.127 -22.102 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -30.316 -3.144 -23.762 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -30.934 -5.536 -23.986 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -31.393 -5.603 -22.296 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -32.637 -5.148 -25.418 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -34.143 -4.336 -24.975 1.00 0.00 H new ATOM 825 N GLN A 69 -28.040 -2.416 -21.187 1.00 0.00 N ATOM 826 CA GLN A 69 -27.123 -1.296 -21.007 1.00 0.00 C ATOM 827 C GLN A 69 -25.692 -1.801 -21.111 1.00 0.00 C ATOM 828 O GLN A 69 -24.880 -1.246 -21.846 1.00 0.00 O ATOM 829 CB GLN A 69 -27.368 -0.639 -19.643 1.00 0.00 C ATOM 830 CG GLN A 69 -28.492 0.398 -19.761 1.00 0.00 C ATOM 831 CD GLN A 69 -28.922 0.860 -18.375 1.00 0.00 C ATOM 832 OE1 GLN A 69 -29.372 0.055 -17.559 1.00 0.00 O ATOM 833 NE2 GLN A 69 -28.807 2.119 -18.059 1.00 0.00 N ATOM 0 H GLN A 69 -28.628 -2.623 -20.380 1.00 0.00 H new ATOM 0 HA GLN A 69 -27.292 -0.549 -21.783 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -27.636 -1.397 -18.907 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -26.455 -0.160 -19.290 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -28.151 1.251 -20.348 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -29.342 -0.033 -20.290 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -28.434 2.783 -18.737 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -29.090 2.440 -17.133 1.00 0.00 H new ATOM 842 N ILE A 70 -25.395 -2.865 -20.376 1.00 0.00 N ATOM 843 CA ILE A 70 -24.063 -3.439 -20.404 1.00 0.00 C ATOM 844 C ILE A 70 -23.731 -3.892 -21.817 1.00 0.00 C ATOM 845 O ILE A 70 -22.610 -3.695 -22.294 1.00 0.00 O ATOM 846 CB ILE A 70 -23.968 -4.627 -19.441 1.00 0.00 C ATOM 847 CG1 ILE A 70 -24.022 -4.127 -17.996 1.00 0.00 C ATOM 848 CG2 ILE A 70 -22.653 -5.383 -19.671 1.00 0.00 C ATOM 849 CD1 ILE A 70 -24.180 -5.324 -17.050 1.00 0.00 C ATOM 0 H ILE A 70 -26.054 -3.342 -19.760 1.00 0.00 H new ATOM 0 HA ILE A 70 -23.348 -2.679 -20.088 1.00 0.00 H new ATOM 0 HB ILE A 70 -24.806 -5.299 -19.624 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -23.112 -3.577 -17.755 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -24.856 -3.436 -17.869 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -22.593 -6.226 -18.983 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -22.618 -5.749 -20.697 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -21.812 -4.712 -19.497 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -24.219 -4.971 -16.020 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -25.102 -5.855 -17.286 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -23.332 -5.998 -17.171 1.00 0.00 H new ATOM 861 N ASN A 71 -24.707 -4.501 -22.489 1.00 0.00 N ATOM 862 CA ASN A 71 -24.488 -4.976 -23.843 1.00 0.00 C ATOM 863 C ASN A 71 -24.140 -3.811 -24.764 1.00 0.00 C ATOM 864 O ASN A 71 -23.277 -3.931 -25.634 1.00 0.00 O ATOM 865 CB ASN A 71 -25.748 -5.674 -24.348 1.00 0.00 C ATOM 866 CG ASN A 71 -25.933 -7.002 -23.623 1.00 0.00 C ATOM 867 OD1 ASN A 71 -26.943 -7.207 -22.949 1.00 0.00 O ATOM 868 ND2 ASN A 71 -25.014 -7.921 -23.722 1.00 0.00 N ATOM 0 H ASN A 71 -25.642 -4.673 -22.120 1.00 0.00 H new ATOM 0 HA ASN A 71 -23.656 -5.680 -23.841 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -26.617 -5.037 -24.185 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -25.674 -5.844 -25.422 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -25.130 -8.813 -23.241 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -24.178 -7.749 -24.281 1.00 0.00 H new ATOM 875 N MET A 72 -24.818 -2.686 -24.569 1.00 0.00 N ATOM 876 CA MET A 72 -24.567 -1.509 -25.392 1.00 0.00 C ATOM 877 C MET A 72 -23.269 -0.824 -24.972 1.00 0.00 C ATOM 878 O MET A 72 -22.416 -0.525 -25.808 1.00 0.00 O ATOM 879 CB MET A 72 -25.729 -0.523 -25.254 1.00 0.00 C ATOM 880 CG MET A 72 -25.581 0.601 -26.285 1.00 0.00 C ATOM 881 SD MET A 72 -25.831 -0.070 -27.948 1.00 0.00 S ATOM 882 CE MET A 72 -27.626 0.146 -28.010 1.00 0.00 C ATOM 0 H MET A 72 -25.538 -2.564 -23.857 1.00 0.00 H new ATOM 0 HA MET A 72 -24.476 -1.828 -26.430 1.00 0.00 H new ATOM 0 HB2 MET A 72 -26.677 -1.041 -25.401 1.00 0.00 H new ATOM 0 HB3 MET A 72 -25.746 -0.106 -24.247 1.00 0.00 H new ATOM 0 HG2 MET A 72 -26.307 1.389 -26.086 1.00 0.00 H new ATOM 0 HG3 MET A 72 -24.592 1.052 -26.208 1.00 0.00 H new ATOM 0 HE1 MET A 72 -28.002 -0.210 -28.969 1.00 0.00 H new ATOM 0 HE2 MET A 72 -28.089 -0.424 -27.205 1.00 0.00 H new ATOM 0 HE3 MET A 72 -27.870 1.202 -27.894 1.00 0.00 H new ATOM 892 N ASN A 73 -23.129 -0.575 -23.674 1.00 0.00 N ATOM 893 CA ASN A 73 -21.934 0.086 -23.164 1.00 0.00 C ATOM 894 C ASN A 73 -20.681 -0.642 -23.630 1.00 0.00 C ATOM 895 O ASN A 73 -19.760 -0.028 -24.169 1.00 0.00 O ATOM 896 CB ASN A 73 -21.970 0.109 -21.632 1.00 0.00 C ATOM 897 CG ASN A 73 -23.061 1.059 -21.148 1.00 0.00 C ATOM 898 OD1 ASN A 73 -23.243 2.137 -21.714 1.00 0.00 O ATOM 899 ND2 ASN A 73 -23.803 0.723 -20.128 1.00 0.00 N ATOM 0 H ASN A 73 -23.820 -0.818 -22.964 1.00 0.00 H new ATOM 0 HA ASN A 73 -21.912 1.106 -23.547 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -22.155 -0.895 -21.250 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -21.002 0.425 -21.242 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -24.534 1.354 -19.799 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -23.652 -0.170 -19.660 1.00 0.00 H new ATOM 906 N LEU A 74 -20.656 -1.952 -23.432 1.00 0.00 N ATOM 907 CA LEU A 74 -19.512 -2.756 -23.844 1.00 0.00 C ATOM 908 C LEU A 74 -19.583 -3.052 -25.333 1.00 0.00 C ATOM 909 O LEU A 74 -19.373 -2.166 -26.161 1.00 0.00 O ATOM 910 CB LEU A 74 -19.483 -4.067 -23.043 1.00 0.00 C ATOM 911 CG LEU A 74 -18.918 -3.806 -21.638 1.00 0.00 C ATOM 912 CD1 LEU A 74 -17.413 -3.454 -21.714 1.00 0.00 C ATOM 913 CD2 LEU A 74 -19.695 -2.648 -20.986 1.00 0.00 C ATOM 0 H LEU A 74 -21.410 -2.479 -22.991 1.00 0.00 H new ATOM 0 HA LEU A 74 -18.597 -2.197 -23.646 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -20.489 -4.481 -22.969 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -18.871 -4.806 -23.560 1.00 0.00 H new ATOM 0 HG LEU A 74 -19.030 -4.708 -21.037 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -17.031 -3.273 -20.710 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -16.868 -4.283 -22.166 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -17.279 -2.558 -22.321 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -19.298 -2.459 -19.989 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -19.589 -1.750 -21.595 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -20.750 -2.914 -20.912 1.00 0.00 H new ATOM 925 N GLY A 75 -19.874 -4.299 -25.665 1.00 0.00 N ATOM 926 CA GLY A 75 -19.968 -4.704 -27.059 1.00 0.00 C ATOM 927 C GLY A 75 -20.629 -6.077 -27.185 1.00 0.00 C ATOM 928 O GLY A 75 -20.574 -6.701 -28.242 1.00 0.00 O ATOM 0 H GLY A 75 -20.049 -5.046 -24.992 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -20.543 -3.966 -27.618 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -18.972 -4.733 -27.501 1.00 0.00 H new ATOM 932 N GLY A 76 -21.250 -6.546 -26.096 1.00 0.00 N ATOM 933 CA GLY A 76 -21.914 -7.850 -26.089 1.00 0.00 C ATOM 934 C GLY A 76 -21.167 -8.834 -25.196 1.00 0.00 C ATOM 935 O GLY A 76 -21.363 -10.043 -25.295 1.00 0.00 O ATOM 0 H GLY A 76 -21.305 -6.041 -25.211 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.940 -7.739 -25.737 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -21.967 -8.242 -27.105 1.00 0.00 H new ATOM 939 N HIS A 77 -20.310 -8.311 -24.326 1.00 0.00 N ATOM 940 CA HIS A 77 -19.537 -9.151 -23.418 1.00 0.00 C ATOM 941 C HIS A 77 -19.203 -8.387 -22.142 1.00 0.00 C ATOM 942 O HIS A 77 -19.223 -7.158 -22.119 1.00 0.00 O ATOM 943 CB HIS A 77 -18.247 -9.604 -24.097 1.00 0.00 C ATOM 944 CG HIS A 77 -18.583 -10.362 -25.352 1.00 0.00 C ATOM 945 ND1 HIS A 77 -19.100 -11.648 -25.324 1.00 0.00 N ATOM 946 CD2 HIS A 77 -18.484 -10.026 -26.680 1.00 0.00 C ATOM 947 CE1 HIS A 77 -19.290 -12.035 -26.599 1.00 0.00 C ATOM 948 NE2 HIS A 77 -18.931 -11.084 -27.464 1.00 0.00 N ATOM 0 H HIS A 77 -20.133 -7.311 -24.230 1.00 0.00 H new ATOM 0 HA HIS A 77 -20.135 -10.025 -23.160 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -17.626 -8.741 -24.336 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -17.670 -10.235 -23.421 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -18.115 -9.084 -27.058 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -19.685 -12.998 -26.887 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -18.975 -11.125 -28.482 1.00 0.00 H new ATOM 956 N VAL A 78 -18.889 -9.126 -21.083 1.00 0.00 N ATOM 957 CA VAL A 78 -18.538 -8.519 -19.796 1.00 0.00 C ATOM 958 C VAL A 78 -17.318 -9.208 -19.193 1.00 0.00 C ATOM 959 O VAL A 78 -17.245 -10.435 -19.144 1.00 0.00 O ATOM 960 CB VAL A 78 -19.720 -8.626 -18.831 1.00 0.00 C ATOM 961 CG1 VAL A 78 -19.486 -7.719 -17.636 1.00 0.00 C ATOM 962 CG2 VAL A 78 -20.999 -8.218 -19.552 1.00 0.00 C ATOM 0 H VAL A 78 -18.869 -10.146 -21.087 1.00 0.00 H new ATOM 0 HA VAL A 78 -18.300 -7.468 -19.962 1.00 0.00 H new ATOM 0 HB VAL A 78 -19.816 -9.654 -18.482 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -20.329 -7.797 -16.950 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -18.572 -8.020 -17.124 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -19.388 -6.688 -17.975 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -21.843 -8.293 -18.866 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -20.907 -7.190 -19.903 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -21.163 -8.878 -20.404 1.00 0.00 H new ATOM 972 N ASP A 79 -16.360 -8.407 -18.737 1.00 0.00 N ATOM 973 CA ASP A 79 -15.133 -8.932 -18.126 1.00 0.00 C ATOM 974 C ASP A 79 -15.266 -8.968 -16.620 1.00 0.00 C ATOM 975 O ASP A 79 -16.003 -8.179 -16.031 1.00 0.00 O ATOM 976 CB ASP A 79 -13.943 -8.056 -18.525 1.00 0.00 C ATOM 977 CG ASP A 79 -13.631 -8.235 -20.009 1.00 0.00 C ATOM 978 OD1 ASP A 79 -14.134 -9.182 -20.592 1.00 0.00 O ATOM 979 OD2 ASP A 79 -12.891 -7.422 -20.540 1.00 0.00 O ATOM 0 H ASP A 79 -16.405 -7.389 -18.777 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.969 -9.948 -18.484 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.166 -7.010 -18.316 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.070 -8.321 -17.928 1.00 0.00 H new ATOM 984 N PHE A 80 -14.548 -9.900 -16.000 1.00 0.00 N ATOM 985 CA PHE A 80 -14.592 -10.042 -14.553 1.00 0.00 C ATOM 986 C PHE A 80 -14.571 -8.669 -13.890 1.00 0.00 C ATOM 987 O PHE A 80 -15.101 -8.488 -12.795 1.00 0.00 O ATOM 988 CB PHE A 80 -13.387 -10.862 -14.072 1.00 0.00 C ATOM 989 CG PHE A 80 -13.350 -10.868 -12.561 1.00 0.00 C ATOM 990 CD1 PHE A 80 -14.265 -11.646 -11.846 1.00 0.00 C ATOM 991 CD2 PHE A 80 -12.406 -10.094 -11.875 1.00 0.00 C ATOM 992 CE1 PHE A 80 -14.240 -11.651 -10.449 1.00 0.00 C ATOM 993 CE2 PHE A 80 -12.380 -10.099 -10.477 1.00 0.00 C ATOM 994 CZ PHE A 80 -13.299 -10.879 -9.764 1.00 0.00 C ATOM 0 H PHE A 80 -13.934 -10.562 -16.475 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.513 -10.557 -14.279 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.455 -11.883 -14.448 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -12.464 -10.437 -14.467 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.993 -12.244 -12.374 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.698 -9.493 -12.426 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -14.949 -12.252 -9.899 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -11.652 -9.502 -9.948 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.280 -10.884 -8.684 1.00 0.00 H new ATOM 1004 N ASP A 81 -13.950 -7.707 -14.561 1.00 0.00 N ATOM 1005 CA ASP A 81 -13.856 -6.355 -14.022 1.00 0.00 C ATOM 1006 C ASP A 81 -15.176 -5.622 -14.198 1.00 0.00 C ATOM 1007 O ASP A 81 -15.696 -5.024 -13.258 1.00 0.00 O ATOM 1008 CB ASP A 81 -12.739 -5.581 -14.729 1.00 0.00 C ATOM 1009 CG ASP A 81 -11.378 -6.157 -14.344 1.00 0.00 C ATOM 1010 OD1 ASP A 81 -11.338 -6.988 -13.454 1.00 0.00 O ATOM 1011 OD2 ASP A 81 -10.396 -5.757 -14.949 1.00 0.00 O ATOM 0 H ASP A 81 -13.507 -7.835 -15.471 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.627 -6.423 -12.958 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.874 -5.637 -15.809 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.787 -4.527 -14.456 1.00 0.00 H new ATOM 1016 N ASP A 82 -15.716 -5.677 -15.410 1.00 0.00 N ATOM 1017 CA ASP A 82 -16.974 -5.015 -15.700 1.00 0.00 C ATOM 1018 C ASP A 82 -18.095 -5.642 -14.889 1.00 0.00 C ATOM 1019 O ASP A 82 -19.173 -5.070 -14.753 1.00 0.00 O ATOM 1020 CB ASP A 82 -17.288 -5.115 -17.195 1.00 0.00 C ATOM 1021 CG ASP A 82 -16.309 -4.268 -17.996 1.00 0.00 C ATOM 1022 OD1 ASP A 82 -16.060 -3.144 -17.594 1.00 0.00 O ATOM 1023 OD2 ASP A 82 -15.824 -4.757 -19.003 1.00 0.00 O ATOM 0 H ASP A 82 -15.302 -6.171 -16.201 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.888 -3.963 -15.427 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.229 -6.155 -17.518 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.308 -4.780 -17.383 1.00 0.00 H new ATOM 1028 N PHE A 83 -17.830 -6.817 -14.336 1.00 0.00 N ATOM 1029 CA PHE A 83 -18.818 -7.505 -13.515 1.00 0.00 C ATOM 1030 C PHE A 83 -18.684 -7.059 -12.063 1.00 0.00 C ATOM 1031 O PHE A 83 -19.665 -6.687 -11.424 1.00 0.00 O ATOM 1032 CB PHE A 83 -18.624 -9.022 -13.623 1.00 0.00 C ATOM 1033 CG PHE A 83 -19.416 -9.715 -12.531 1.00 0.00 C ATOM 1034 CD1 PHE A 83 -20.796 -9.500 -12.419 1.00 0.00 C ATOM 1035 CD2 PHE A 83 -18.767 -10.567 -11.628 1.00 0.00 C ATOM 1036 CE1 PHE A 83 -21.525 -10.138 -11.409 1.00 0.00 C ATOM 1037 CE2 PHE A 83 -19.496 -11.204 -10.621 1.00 0.00 C ATOM 1038 CZ PHE A 83 -20.873 -10.993 -10.511 1.00 0.00 C ATOM 0 H PHE A 83 -16.944 -7.312 -14.440 1.00 0.00 H new ATOM 0 HA PHE A 83 -19.817 -7.253 -13.871 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.952 -9.372 -14.602 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -17.567 -9.271 -13.533 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.298 -8.841 -13.113 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -17.703 -10.731 -11.710 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.589 -9.971 -11.322 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.994 -11.861 -9.926 1.00 0.00 H new ATOM 0 HZ PHE A 83 -21.435 -11.489 -9.733 1.00 0.00 H new ATOM 1048 N VAL A 84 -17.462 -7.104 -11.553 1.00 0.00 N ATOM 1049 CA VAL A 84 -17.204 -6.705 -10.178 1.00 0.00 C ATOM 1050 C VAL A 84 -17.467 -5.215 -9.997 1.00 0.00 C ATOM 1051 O VAL A 84 -18.058 -4.796 -9.004 1.00 0.00 O ATOM 1052 CB VAL A 84 -15.753 -7.031 -9.801 1.00 0.00 C ATOM 1053 CG1 VAL A 84 -15.394 -6.345 -8.472 1.00 0.00 C ATOM 1054 CG2 VAL A 84 -15.597 -8.543 -9.631 1.00 0.00 C ATOM 0 H VAL A 84 -16.637 -7.411 -12.068 1.00 0.00 H new ATOM 0 HA VAL A 84 -17.876 -7.259 -9.523 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.092 -6.674 -10.591 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -14.363 -6.579 -8.208 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -15.505 -5.266 -8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.060 -6.703 -7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -14.566 -8.775 -9.363 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -16.264 -8.891 -8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.850 -9.042 -10.566 1.00 0.00 H new ATOM 1064 N GLU A 85 -17.006 -4.422 -10.952 1.00 0.00 N ATOM 1065 CA GLU A 85 -17.182 -2.980 -10.875 1.00 0.00 C ATOM 1066 C GLU A 85 -18.662 -2.618 -10.826 1.00 0.00 C ATOM 1067 O GLU A 85 -19.119 -1.951 -9.897 1.00 0.00 O ATOM 1068 CB GLU A 85 -16.521 -2.310 -12.093 1.00 0.00 C ATOM 1069 CG GLU A 85 -16.136 -0.868 -11.745 1.00 0.00 C ATOM 1070 CD GLU A 85 -17.367 -0.099 -11.273 1.00 0.00 C ATOM 1071 OE1 GLU A 85 -18.312 -0.005 -12.037 1.00 0.00 O ATOM 1072 OE2 GLU A 85 -17.347 0.380 -10.151 1.00 0.00 O ATOM 0 H GLU A 85 -16.512 -4.748 -11.782 1.00 0.00 H new ATOM 0 HA GLU A 85 -16.709 -2.621 -9.961 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.635 -2.871 -12.392 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -17.206 -2.319 -12.941 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.374 -0.864 -10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.703 -0.378 -12.617 1.00 0.00 H new ATOM 1079 N LEU A 86 -19.402 -3.062 -11.830 1.00 0.00 N ATOM 1080 CA LEU A 86 -20.832 -2.777 -11.892 1.00 0.00 C ATOM 1081 C LEU A 86 -21.542 -3.379 -10.687 1.00 0.00 C ATOM 1082 O LEU A 86 -22.418 -2.752 -10.091 1.00 0.00 O ATOM 1083 CB LEU A 86 -21.421 -3.349 -13.190 1.00 0.00 C ATOM 1084 CG LEU A 86 -21.192 -2.367 -14.345 1.00 0.00 C ATOM 1085 CD1 LEU A 86 -19.711 -1.967 -14.409 1.00 0.00 C ATOM 1086 CD2 LEU A 86 -21.606 -3.033 -15.661 1.00 0.00 C ATOM 0 H LEU A 86 -19.043 -3.616 -12.607 1.00 0.00 H new ATOM 0 HA LEU A 86 -20.978 -1.697 -11.879 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -20.956 -4.308 -13.419 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -22.488 -3.534 -13.065 1.00 0.00 H new ATOM 0 HG LEU A 86 -21.791 -1.471 -14.183 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -19.558 -1.269 -15.232 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -19.422 -1.491 -13.472 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -19.101 -2.856 -14.568 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -21.445 -2.339 -16.486 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -21.007 -3.930 -15.819 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -22.661 -3.305 -15.615 1.00 0.00 H new ATOM 1098 N MET A 87 -21.160 -4.596 -10.335 1.00 0.00 N ATOM 1099 CA MET A 87 -21.767 -5.272 -9.200 1.00 0.00 C ATOM 1100 C MET A 87 -21.538 -4.475 -7.921 1.00 0.00 C ATOM 1101 O MET A 87 -22.432 -4.355 -7.083 1.00 0.00 O ATOM 1102 CB MET A 87 -21.175 -6.674 -9.050 1.00 0.00 C ATOM 1103 CG MET A 87 -21.807 -7.367 -7.845 1.00 0.00 C ATOM 1104 SD MET A 87 -21.444 -9.142 -7.912 1.00 0.00 S ATOM 1105 CE MET A 87 -23.129 -9.744 -7.642 1.00 0.00 C ATOM 0 H MET A 87 -20.438 -5.133 -10.815 1.00 0.00 H new ATOM 0 HA MET A 87 -22.840 -5.352 -9.376 1.00 0.00 H new ATOM 0 HB2 MET A 87 -21.356 -7.256 -9.954 1.00 0.00 H new ATOM 0 HB3 MET A 87 -20.094 -6.612 -8.922 1.00 0.00 H new ATOM 0 HG2 MET A 87 -21.418 -6.940 -6.921 1.00 0.00 H new ATOM 0 HG3 MET A 87 -22.885 -7.205 -7.842 1.00 0.00 H new ATOM 0 HE1 MET A 87 -23.131 -10.834 -7.647 1.00 0.00 H new ATOM 0 HE2 MET A 87 -23.494 -9.385 -6.680 1.00 0.00 H new ATOM 0 HE3 MET A 87 -23.778 -9.377 -8.437 1.00 0.00 H new ATOM 1115 N GLY A 88 -20.337 -3.929 -7.782 1.00 0.00 N ATOM 1116 CA GLY A 88 -19.998 -3.137 -6.605 1.00 0.00 C ATOM 1117 C GLY A 88 -20.424 -3.854 -5.326 1.00 0.00 C ATOM 1118 O GLY A 88 -21.285 -3.369 -4.591 1.00 0.00 O ATOM 0 H GLY A 88 -19.585 -4.019 -8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -18.924 -2.952 -6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -20.488 -2.165 -6.662 1.00 0.00 H new