USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 743 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 23 SER OG : rot 180:sc= 0.457 USER MOD Set 1.2: A 57 TYR OH : rot -146:sc= 0.5 USER MOD Single : A 1 MET CE :methyl 153:sc= -0.172 (180deg=-1.32) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0286 (180deg=-0.367) USER MOD Single : A 5 THR OG1 : rot -44:sc= -0.221! USER MOD Single : A 10 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00985) USER MOD Single : A 14 SER OG : rot 79:sc= 0.569 USER MOD Single : A 18 LYS NZ :NH3+ 144:sc= -4.18! (180deg=-6.29!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= -2.5! (180deg=-2.96!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.196! C(o=-0.2!,f=-15!) USER MOD Single : A 36 ASN : amide:sc=-0.00608 X(o=-0.0061,f=-0.37) USER MOD Single : A 37 SER OG : rot 82:sc= 0.0271 USER MOD Single : A 38 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.2) USER MOD Single : A 44 GLN : amide:sc= -0.852 X(o=-0.85,f=-1.1) USER MOD Single : A 47 MET CE :methyl -147:sc= -3.12! (180deg=-5.95!) USER MOD Single : A 48 HIS : no HD1:sc= -2.67! C(o=-2.7!,f=-4.4!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -68:sc= 1.08 USER MOD Single : A 61 GLN : amide:sc= -0.645 K(o=-0.64,f=-2.3) USER MOD Single : A 63 SER OG : rot -25:sc= 0.0505 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.51! K(o=-1.5!,f=-0.032) USER MOD Single : A 75 THR OG1 : rot 71:sc= 1.17 USER MOD Single : A 76 GLN : amide:sc= -3.3! C(o=-3.3!,f=-3!) USER MOD Single : A 79 LYS NZ :NH3+ 134:sc= -1.51 (180deg=-2.67!) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 86 HIS : no HD1:sc= -0.199 K(o=-0.2,f=-1.1) USER MOD Single : A 87 HIS : no HD1:sc= -0.153 K(o=-0.15,f=-1) USER MOD Single : A 88 HIS : no HD1:sc= -1.15 X(o=-1.1,f=-1.1) USER MOD Single : A 89 HIS : no HD1:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.965 -17.227 24.134 1.00 0.00 N ATOM 2 CA MET A 1 -6.971 -15.750 23.933 1.00 0.00 C ATOM 3 C MET A 1 -6.947 -15.443 22.440 1.00 0.00 C ATOM 4 O MET A 1 -7.921 -14.932 21.885 1.00 0.00 O ATOM 5 CB MET A 1 -5.741 -15.140 24.609 1.00 0.00 C ATOM 6 CG MET A 1 -5.869 -15.285 26.126 1.00 0.00 C ATOM 7 SD MET A 1 -4.400 -14.590 26.929 1.00 0.00 S ATOM 8 CE MET A 1 -4.665 -12.860 26.462 1.00 0.00 C ATOM 0 H1 MET A 1 -7.300 -17.448 25.094 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.593 -17.675 23.437 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.998 -17.590 24.012 1.00 0.00 H new ATOM 0 HA MET A 1 -7.872 -15.322 24.374 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.836 -15.638 24.260 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.649 -14.088 24.340 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.765 -14.772 26.476 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.979 -16.336 26.393 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.197 -12.208 27.200 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.223 -12.676 25.483 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.735 -12.654 26.422 1.00 0.00 H new ATOM 20 N GLY A 2 -5.830 -15.758 21.795 1.00 0.00 N ATOM 21 CA GLY A 2 -5.689 -15.511 20.366 1.00 0.00 C ATOM 22 C GLY A 2 -4.400 -16.123 19.833 1.00 0.00 C ATOM 23 O GLY A 2 -3.640 -16.740 20.578 1.00 0.00 O ATOM 0 H GLY A 2 -5.014 -16.182 22.236 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -6.543 -15.931 19.834 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.692 -14.438 20.176 1.00 0.00 H new ATOM 27 N VAL A 3 -4.159 -15.942 18.538 1.00 0.00 N ATOM 28 CA VAL A 3 -2.955 -16.477 17.912 1.00 0.00 C ATOM 29 C VAL A 3 -1.714 -15.835 18.515 1.00 0.00 C ATOM 30 O VAL A 3 -0.599 -16.323 18.335 1.00 0.00 O ATOM 31 CB VAL A 3 -2.986 -16.224 16.402 1.00 0.00 C ATOM 32 CG1 VAL A 3 -2.992 -14.717 16.132 1.00 0.00 C ATOM 33 CG2 VAL A 3 -1.748 -16.857 15.754 1.00 0.00 C ATOM 0 H VAL A 3 -4.777 -15.433 17.906 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.921 -17.551 18.093 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.887 -16.669 15.978 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.014 -14.540 15.057 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.873 -14.269 16.592 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.093 -14.268 16.555 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.768 -16.678 14.679 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.848 -16.413 16.179 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.747 -17.930 15.943 1.00 0.00 H new ATOM 43 N TRP A 4 -1.916 -14.730 19.221 1.00 0.00 N ATOM 44 CA TRP A 4 -0.807 -14.018 19.837 1.00 0.00 C ATOM 45 C TRP A 4 -0.308 -14.753 21.075 1.00 0.00 C ATOM 46 O TRP A 4 -1.070 -15.023 22.004 1.00 0.00 O ATOM 47 CB TRP A 4 -1.260 -12.615 20.233 1.00 0.00 C ATOM 48 CG TRP A 4 -1.672 -11.864 19.010 1.00 0.00 C ATOM 49 CD1 TRP A 4 -2.837 -12.045 18.347 1.00 0.00 C ATOM 50 CD2 TRP A 4 -0.954 -10.815 18.298 1.00 0.00 C ATOM 51 NE1 TRP A 4 -2.876 -11.183 17.268 1.00 0.00 N ATOM 52 CE2 TRP A 4 -1.738 -10.403 17.194 1.00 0.00 C ATOM 53 CE3 TRP A 4 0.291 -10.192 18.496 1.00 0.00 C ATOM 54 CZ2 TRP A 4 -1.306 -9.405 16.322 1.00 0.00 C ATOM 55 CZ3 TRP A 4 0.729 -9.186 17.619 1.00 0.00 C ATOM 56 CH2 TRP A 4 -0.066 -8.795 16.532 1.00 0.00 C ATOM 0 H TRP A 4 -2.832 -14.310 19.380 1.00 0.00 H new ATOM 0 HA TRP A 4 0.008 -13.959 19.115 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -2.092 -12.674 20.935 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.451 -12.089 20.741 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.611 -12.749 18.617 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -3.651 -11.129 16.607 1.00 0.00 H new ATOM 0 HE3 TRP A 4 0.914 -10.489 19.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -1.925 -9.105 15.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 1.685 -8.710 17.783 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.279 -8.024 15.859 1.00 0.00 H new ATOM 67 N THR A 5 0.983 -15.060 21.081 1.00 0.00 N ATOM 68 CA THR A 5 1.597 -15.752 22.205 1.00 0.00 C ATOM 69 C THR A 5 3.119 -15.721 22.074 1.00 0.00 C ATOM 70 O THR A 5 3.788 -16.736 22.269 1.00 0.00 O ATOM 71 CB THR A 5 1.112 -17.208 22.260 1.00 0.00 C ATOM 72 OG1 THR A 5 -0.278 -17.257 21.968 1.00 0.00 O ATOM 73 CG2 THR A 5 1.363 -17.787 23.653 1.00 0.00 C ATOM 0 H THR A 5 1.625 -14.840 20.319 1.00 0.00 H new ATOM 0 HA THR A 5 1.307 -15.245 23.126 1.00 0.00 H new ATOM 0 HB THR A 5 1.660 -17.796 21.524 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.740 -16.542 22.453 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.017 -18.820 23.685 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.430 -17.755 23.874 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.821 -17.199 24.394 1.00 0.00 H new ATOM 81 N PRO A 6 3.671 -14.580 21.744 1.00 0.00 N ATOM 82 CA PRO A 6 5.148 -14.412 21.576 1.00 0.00 C ATOM 83 C PRO A 6 5.900 -14.676 22.879 1.00 0.00 C ATOM 84 O PRO A 6 5.291 -14.965 23.909 1.00 0.00 O ATOM 85 CB PRO A 6 5.294 -12.941 21.139 1.00 0.00 C ATOM 86 CG PRO A 6 4.050 -12.272 21.625 1.00 0.00 C ATOM 87 CD PRO A 6 2.953 -13.320 21.495 1.00 0.00 C ATOM 0 HA PRO A 6 5.569 -15.116 20.858 1.00 0.00 H new ATOM 0 HB2 PRO A 6 6.184 -12.486 21.574 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.391 -12.858 20.056 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.159 -11.942 22.658 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.821 -11.387 21.031 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.154 -13.160 22.219 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.495 -13.305 20.506 1.00 0.00 H new ATOM 95 N GLU A 7 7.223 -14.568 22.824 1.00 0.00 N ATOM 96 CA GLU A 7 8.052 -14.787 24.003 1.00 0.00 C ATOM 97 C GLU A 7 7.463 -14.070 25.210 1.00 0.00 C ATOM 98 O GLU A 7 7.831 -14.352 26.348 1.00 0.00 O ATOM 99 CB GLU A 7 9.474 -14.287 23.751 1.00 0.00 C ATOM 100 CG GLU A 7 9.427 -12.821 23.321 1.00 0.00 C ATOM 101 CD GLU A 7 10.841 -12.308 23.072 1.00 0.00 C ATOM 102 OE1 GLU A 7 11.775 -13.021 23.399 1.00 0.00 O ATOM 103 OE2 GLU A 7 10.969 -11.206 22.563 1.00 0.00 O ATOM 0 H GLU A 7 7.743 -14.331 21.979 1.00 0.00 H new ATOM 0 HA GLU A 7 8.080 -15.857 24.207 1.00 0.00 H new ATOM 0 HB2 GLU A 7 10.074 -14.394 24.655 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.952 -14.889 22.978 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.829 -12.717 22.416 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.944 -12.222 24.093 1.00 0.00 H new ATOM 110 N VAL A 8 6.556 -13.134 24.956 1.00 0.00 N ATOM 111 CA VAL A 8 5.938 -12.379 26.037 1.00 0.00 C ATOM 112 C VAL A 8 5.364 -13.333 27.076 1.00 0.00 C ATOM 113 O VAL A 8 5.615 -13.185 28.272 1.00 0.00 O ATOM 114 CB VAL A 8 4.802 -11.519 25.479 1.00 0.00 C ATOM 115 CG1 VAL A 8 4.106 -10.776 26.620 1.00 0.00 C ATOM 116 CG2 VAL A 8 5.362 -10.513 24.472 1.00 0.00 C ATOM 0 H VAL A 8 6.235 -12.882 24.021 1.00 0.00 H new ATOM 0 HA VAL A 8 6.694 -11.745 26.499 1.00 0.00 H new ATOM 0 HB VAL A 8 4.079 -12.163 24.978 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.298 -10.165 26.217 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.697 -11.497 27.328 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.826 -10.135 27.129 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.550 -9.903 24.077 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.091 -9.871 24.966 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.845 -11.047 23.654 1.00 0.00 H new ATOM 126 N LEU A 9 4.603 -14.321 26.616 1.00 0.00 N ATOM 127 CA LEU A 9 4.016 -15.298 27.528 1.00 0.00 C ATOM 128 C LEU A 9 5.118 -16.105 28.202 1.00 0.00 C ATOM 129 O LEU A 9 5.072 -16.354 29.405 1.00 0.00 O ATOM 130 CB LEU A 9 3.076 -16.244 26.767 1.00 0.00 C ATOM 131 CG LEU A 9 2.482 -17.293 27.726 1.00 0.00 C ATOM 132 CD1 LEU A 9 1.719 -16.605 28.872 1.00 0.00 C ATOM 133 CD2 LEU A 9 1.531 -18.205 26.941 1.00 0.00 C ATOM 0 H LEU A 9 4.380 -14.466 25.631 1.00 0.00 H new ATOM 0 HA LEU A 9 3.442 -14.765 28.286 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.274 -15.673 26.300 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.621 -16.742 25.965 1.00 0.00 H new ATOM 0 HG LEU A 9 3.290 -17.883 28.157 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.306 -17.361 29.540 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.401 -15.962 29.429 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.909 -16.003 28.460 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.106 -18.951 27.612 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.729 -17.608 26.508 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.082 -18.705 26.144 1.00 0.00 H new ATOM 145 N LYS A 10 6.104 -16.514 27.411 1.00 0.00 N ATOM 146 CA LYS A 10 7.214 -17.302 27.930 1.00 0.00 C ATOM 147 C LYS A 10 7.996 -16.496 28.959 1.00 0.00 C ATOM 148 O LYS A 10 8.455 -17.035 29.965 1.00 0.00 O ATOM 149 CB LYS A 10 8.141 -17.716 26.785 1.00 0.00 C ATOM 150 CG LYS A 10 9.224 -18.659 27.316 1.00 0.00 C ATOM 151 CD LYS A 10 10.179 -19.059 26.183 1.00 0.00 C ATOM 152 CE LYS A 10 9.520 -20.087 25.254 1.00 0.00 C ATOM 153 NZ LYS A 10 10.566 -20.683 24.369 1.00 0.00 N ATOM 0 H LYS A 10 6.157 -16.314 26.412 1.00 0.00 H new ATOM 0 HA LYS A 10 6.815 -18.196 28.409 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.568 -18.210 26.000 1.00 0.00 H new ATOM 0 HB3 LYS A 10 8.600 -16.834 26.338 1.00 0.00 H new ATOM 0 HG2 LYS A 10 9.781 -18.171 28.116 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.763 -19.549 27.745 1.00 0.00 H new ATOM 0 HD2 LYS A 10 10.463 -18.175 25.612 1.00 0.00 H new ATOM 0 HD3 LYS A 10 11.095 -19.476 26.603 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.034 -20.867 25.840 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.746 -19.610 24.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.137 -21.418 23.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.975 -19.941 23.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.315 -21.106 24.953 1.00 0.00 H new ATOM 167 N ALA A 11 8.142 -15.204 28.699 1.00 0.00 N ATOM 168 CA ALA A 11 8.869 -14.334 29.611 1.00 0.00 C ATOM 169 C ALA A 11 8.160 -14.279 30.958 1.00 0.00 C ATOM 170 O ALA A 11 8.799 -14.320 32.009 1.00 0.00 O ATOM 171 CB ALA A 11 8.961 -12.926 29.024 1.00 0.00 C ATOM 0 H ALA A 11 7.770 -14.739 27.871 1.00 0.00 H new ATOM 0 HA ALA A 11 9.874 -14.733 29.751 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.506 -12.280 29.712 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.485 -12.964 28.069 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.957 -12.529 28.872 1.00 0.00 H new ATOM 177 N ARG A 12 6.834 -14.191 30.918 1.00 0.00 N ATOM 178 CA ARG A 12 6.051 -14.138 32.146 1.00 0.00 C ATOM 179 C ARG A 12 6.158 -15.461 32.892 1.00 0.00 C ATOM 180 O ARG A 12 6.367 -15.486 34.105 1.00 0.00 O ATOM 181 CB ARG A 12 4.582 -13.845 31.816 1.00 0.00 C ATOM 182 CG ARG A 12 3.752 -13.735 33.105 1.00 0.00 C ATOM 183 CD ARG A 12 4.251 -12.566 33.964 1.00 0.00 C ATOM 184 NE ARG A 12 3.177 -12.085 34.826 1.00 0.00 N ATOM 185 CZ ARG A 12 3.295 -10.940 35.486 1.00 0.00 C ATOM 186 NH1 ARG A 12 4.380 -10.228 35.359 1.00 0.00 N ATOM 187 NH2 ARG A 12 2.328 -10.528 36.259 1.00 0.00 N ATOM 0 H ARG A 12 6.285 -14.155 30.059 1.00 0.00 H new ATOM 0 HA ARG A 12 6.442 -13.341 32.779 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.509 -12.917 31.249 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.180 -14.637 31.184 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.701 -13.589 32.857 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.820 -14.665 33.670 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.099 -12.885 34.570 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.603 -11.758 33.323 1.00 0.00 H new ATOM 0 HE ARG A 12 2.324 -12.636 34.923 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.135 -10.552 34.754 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.474 -9.347 35.865 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.480 -11.086 36.357 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.420 -9.648 36.766 1.00 0.00 H new ATOM 201 N ALA A 13 6.020 -16.559 32.157 1.00 0.00 N ATOM 202 CA ALA A 13 6.110 -17.884 32.759 1.00 0.00 C ATOM 203 C ALA A 13 7.536 -18.159 33.222 1.00 0.00 C ATOM 204 O ALA A 13 7.758 -18.740 34.283 1.00 0.00 O ATOM 205 CB ALA A 13 5.678 -18.945 31.745 1.00 0.00 C ATOM 0 H ALA A 13 5.847 -16.559 31.152 1.00 0.00 H new ATOM 0 HA ALA A 13 5.447 -17.923 33.624 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.747 -19.933 32.200 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.649 -18.758 31.439 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.330 -18.901 30.872 1.00 0.00 H new ATOM 211 N SER A 14 8.497 -17.729 32.411 1.00 0.00 N ATOM 212 CA SER A 14 9.909 -17.918 32.725 1.00 0.00 C ATOM 213 C SER A 14 10.419 -16.767 33.583 1.00 0.00 C ATOM 214 O SER A 14 11.569 -16.768 34.022 1.00 0.00 O ATOM 215 CB SER A 14 10.719 -17.987 31.430 1.00 0.00 C ATOM 216 OG SER A 14 10.226 -19.050 30.625 1.00 0.00 O ATOM 0 H SER A 14 8.323 -17.246 31.529 1.00 0.00 H new ATOM 0 HA SER A 14 10.024 -18.850 33.279 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.646 -17.043 30.891 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.774 -18.145 31.655 1.00 0.00 H new ATOM 0 HG SER A 14 9.410 -18.761 30.165 1.00 0.00 H new ATOM 222 N VAL A 15 9.553 -15.783 33.810 1.00 0.00 N ATOM 223 CA VAL A 15 9.914 -14.618 34.613 1.00 0.00 C ATOM 224 C VAL A 15 11.066 -13.851 33.970 1.00 0.00 C ATOM 225 O VAL A 15 10.874 -12.761 33.430 1.00 0.00 O ATOM 226 CB VAL A 15 10.320 -15.060 36.020 1.00 0.00 C ATOM 227 CG1 VAL A 15 10.386 -13.841 36.941 1.00 0.00 C ATOM 228 CG2 VAL A 15 9.286 -16.052 36.558 1.00 0.00 C ATOM 0 H VAL A 15 8.599 -15.769 33.450 1.00 0.00 H new ATOM 0 HA VAL A 15 9.046 -13.962 34.671 1.00 0.00 H new ATOM 0 HB VAL A 15 11.299 -15.538 35.983 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.675 -14.157 37.943 1.00 0.00 H new ATOM 0 HG12 VAL A 15 11.122 -13.134 36.557 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.408 -13.361 36.980 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.573 -16.369 37.561 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.307 -15.573 36.595 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.240 -16.921 35.902 1.00 0.00 H new ATOM 238 N ILE A 16 12.263 -14.429 34.029 1.00 0.00 N ATOM 239 CA ILE A 16 13.450 -13.798 33.449 1.00 0.00 C ATOM 240 C ILE A 16 13.785 -14.434 32.102 1.00 0.00 C ATOM 241 O ILE A 16 13.858 -15.657 31.978 1.00 0.00 O ATOM 242 CB ILE A 16 14.635 -13.939 34.414 1.00 0.00 C ATOM 243 CG1 ILE A 16 14.714 -15.380 34.927 1.00 0.00 C ATOM 244 CG2 ILE A 16 14.443 -12.990 35.600 1.00 0.00 C ATOM 245 CD1 ILE A 16 15.936 -15.535 35.840 1.00 0.00 C ATOM 0 H ILE A 16 12.439 -15.331 34.471 1.00 0.00 H new ATOM 0 HA ILE A 16 13.246 -12.739 33.288 1.00 0.00 H new ATOM 0 HB ILE A 16 15.557 -13.689 33.890 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.805 -15.633 35.473 1.00 0.00 H new ATOM 0 HG13 ILE A 16 14.784 -16.072 34.088 1.00 0.00 H new ATOM 0 HG21 ILE A 16 15.284 -13.090 36.286 1.00 0.00 H new ATOM 0 HG22 ILE A 16 14.389 -11.963 35.239 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.519 -13.241 36.121 1.00 0.00 H new ATOM 0 HD11 ILE A 16 15.990 -16.561 36.204 1.00 0.00 H new ATOM 0 HD12 ILE A 16 16.841 -15.300 35.280 1.00 0.00 H new ATOM 0 HD13 ILE A 16 15.847 -14.854 36.686 1.00 0.00 H new ATOM 257 N GLY A 17 13.978 -13.589 31.092 1.00 0.00 N ATOM 258 CA GLY A 17 14.297 -14.070 29.753 1.00 0.00 C ATOM 259 C GLY A 17 15.777 -14.400 29.642 1.00 0.00 C ATOM 260 O GLY A 17 16.621 -13.681 30.178 1.00 0.00 O ATOM 0 H GLY A 17 13.919 -12.574 31.176 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.703 -14.956 29.528 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.031 -13.313 29.016 1.00 0.00 H new ATOM 264 N LYS A 18 16.093 -15.494 28.951 1.00 0.00 N ATOM 265 CA LYS A 18 17.490 -15.908 28.788 1.00 0.00 C ATOM 266 C LYS A 18 17.714 -16.525 27.400 1.00 0.00 C ATOM 267 O LYS A 18 16.770 -16.691 26.628 1.00 0.00 O ATOM 268 CB LYS A 18 17.886 -16.931 29.891 1.00 0.00 C ATOM 269 CG LYS A 18 16.783 -17.026 30.963 1.00 0.00 C ATOM 270 CD LYS A 18 17.154 -18.095 32.009 1.00 0.00 C ATOM 271 CE LYS A 18 18.189 -17.548 33.002 1.00 0.00 C ATOM 272 NZ LYS A 18 17.709 -16.258 33.565 1.00 0.00 N ATOM 0 H LYS A 18 15.412 -16.105 28.499 1.00 0.00 H new ATOM 0 HA LYS A 18 18.119 -15.023 28.883 1.00 0.00 H new ATOM 0 HB2 LYS A 18 18.051 -17.911 29.443 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.826 -16.630 30.354 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.653 -16.059 31.449 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.831 -17.278 30.496 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.260 -18.411 32.546 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.554 -18.977 31.509 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.353 -18.267 33.804 1.00 0.00 H new ATOM 0 HE3 LYS A 18 19.147 -17.404 32.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.995 -16.186 34.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.123 -15.469 33.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.672 -16.215 33.499 1.00 0.00 H new ATOM 286 N PRO A 19 18.939 -16.878 27.078 1.00 0.00 N ATOM 287 CA PRO A 19 19.267 -17.503 25.762 1.00 0.00 C ATOM 288 C PRO A 19 18.489 -18.803 25.543 1.00 0.00 C ATOM 289 O PRO A 19 18.660 -19.771 26.284 1.00 0.00 O ATOM 290 CB PRO A 19 20.785 -17.768 25.842 1.00 0.00 C ATOM 291 CG PRO A 19 21.288 -16.862 26.920 1.00 0.00 C ATOM 292 CD PRO A 19 20.141 -16.721 27.920 1.00 0.00 C ATOM 0 HA PRO A 19 18.995 -16.863 24.923 1.00 0.00 H new ATOM 0 HB2 PRO A 19 20.990 -18.812 26.078 1.00 0.00 H new ATOM 0 HB3 PRO A 19 21.272 -17.555 24.890 1.00 0.00 H new ATOM 0 HG2 PRO A 19 22.174 -17.279 27.399 1.00 0.00 H new ATOM 0 HG3 PRO A 19 21.573 -15.892 26.513 1.00 0.00 H new ATOM 0 HD2 PRO A 19 20.190 -17.482 28.699 1.00 0.00 H new ATOM 0 HD3 PRO A 19 20.159 -15.752 28.420 1.00 0.00 H new ATOM 300 N ILE A 20 17.643 -18.818 24.516 1.00 0.00 N ATOM 301 CA ILE A 20 16.852 -20.005 24.201 1.00 0.00 C ATOM 302 C ILE A 20 17.639 -20.925 23.276 1.00 0.00 C ATOM 303 O ILE A 20 18.187 -20.482 22.267 1.00 0.00 O ATOM 304 CB ILE A 20 15.535 -19.604 23.530 1.00 0.00 C ATOM 305 CG1 ILE A 20 14.734 -18.721 24.490 1.00 0.00 C ATOM 306 CG2 ILE A 20 14.721 -20.862 23.198 1.00 0.00 C ATOM 307 CD1 ILE A 20 13.506 -18.155 23.769 1.00 0.00 C ATOM 0 H ILE A 20 17.488 -18.027 23.891 1.00 0.00 H new ATOM 0 HA ILE A 20 16.630 -20.532 25.129 1.00 0.00 H new ATOM 0 HB ILE A 20 15.745 -19.057 22.611 1.00 0.00 H new ATOM 0 HG12 ILE A 20 14.422 -19.301 25.359 1.00 0.00 H new ATOM 0 HG13 ILE A 20 15.359 -17.907 24.858 1.00 0.00 H new ATOM 0 HG21 ILE A 20 13.784 -20.574 22.721 1.00 0.00 H new ATOM 0 HG22 ILE A 20 15.293 -21.497 22.521 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.507 -21.410 24.116 1.00 0.00 H new ATOM 0 HD11 ILE A 20 12.938 -17.527 24.456 1.00 0.00 H new ATOM 0 HD12 ILE A 20 13.828 -17.560 22.915 1.00 0.00 H new ATOM 0 HD13 ILE A 20 12.877 -18.975 23.423 1.00 0.00 H new ATOM 319 N GLY A 21 17.685 -22.205 23.618 1.00 0.00 N ATOM 320 CA GLY A 21 18.403 -23.174 22.802 1.00 0.00 C ATOM 321 C GLY A 21 17.851 -23.191 21.380 1.00 0.00 C ATOM 322 O GLY A 21 16.683 -22.873 21.156 1.00 0.00 O ATOM 0 H GLY A 21 17.238 -22.594 24.448 1.00 0.00 H new ATOM 0 HA2 GLY A 21 19.464 -22.926 22.783 1.00 0.00 H new ATOM 0 HA3 GLY A 21 18.315 -24.166 23.244 1.00 0.00 H new ATOM 326 N GLU A 22 18.697 -23.555 20.421 1.00 0.00 N ATOM 327 CA GLU A 22 18.276 -23.597 19.025 1.00 0.00 C ATOM 328 C GLU A 22 17.020 -24.450 18.876 1.00 0.00 C ATOM 329 O GLU A 22 16.060 -24.048 18.218 1.00 0.00 O ATOM 330 CB GLU A 22 19.401 -24.179 18.162 1.00 0.00 C ATOM 331 CG GLU A 22 18.988 -24.165 16.687 1.00 0.00 C ATOM 332 CD GLU A 22 20.133 -24.680 15.821 1.00 0.00 C ATOM 333 OE1 GLU A 22 21.085 -25.200 16.380 1.00 0.00 O ATOM 334 OE2 GLU A 22 20.041 -24.550 14.611 1.00 0.00 O ATOM 0 H GLU A 22 19.668 -23.822 20.582 1.00 0.00 H new ATOM 0 HA GLU A 22 18.054 -22.582 18.695 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.313 -23.598 18.299 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.622 -25.199 18.477 1.00 0.00 H new ATOM 0 HG2 GLU A 22 18.104 -24.786 16.542 1.00 0.00 H new ATOM 0 HG3 GLU A 22 18.720 -23.153 16.385 1.00 0.00 H new ATOM 341 N SER A 23 17.030 -25.624 19.495 1.00 0.00 N ATOM 342 CA SER A 23 15.883 -26.520 19.429 1.00 0.00 C ATOM 343 C SER A 23 14.656 -25.877 20.072 1.00 0.00 C ATOM 344 O SER A 23 13.547 -25.972 19.545 1.00 0.00 O ATOM 345 CB SER A 23 16.204 -27.837 20.135 1.00 0.00 C ATOM 346 OG SER A 23 15.085 -28.709 20.029 1.00 0.00 O ATOM 0 H SER A 23 17.814 -25.976 20.045 1.00 0.00 H new ATOM 0 HA SER A 23 15.664 -26.717 18.380 1.00 0.00 H new ATOM 0 HB2 SER A 23 17.084 -28.299 19.687 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.439 -27.654 21.183 1.00 0.00 H new ATOM 0 HG SER A 23 15.286 -29.556 20.479 1.00 0.00 H new ATOM 352 N TYR A 24 14.860 -25.222 21.213 1.00 0.00 N ATOM 353 CA TYR A 24 13.763 -24.571 21.919 1.00 0.00 C ATOM 354 C TYR A 24 13.422 -23.239 21.261 1.00 0.00 C ATOM 355 O TYR A 24 12.407 -22.619 21.578 1.00 0.00 O ATOM 356 CB TYR A 24 14.145 -24.344 23.383 1.00 0.00 C ATOM 357 CG TYR A 24 14.386 -25.677 24.050 1.00 0.00 C ATOM 358 CD1 TYR A 24 13.302 -26.428 24.522 1.00 0.00 C ATOM 359 CD2 TYR A 24 15.691 -26.164 24.196 1.00 0.00 C ATOM 360 CE1 TYR A 24 13.523 -27.663 25.142 1.00 0.00 C ATOM 361 CE2 TYR A 24 15.911 -27.400 24.816 1.00 0.00 C ATOM 362 CZ TYR A 24 14.827 -28.150 25.287 1.00 0.00 C ATOM 363 OH TYR A 24 15.045 -29.368 25.899 1.00 0.00 O ATOM 0 H TYR A 24 15.770 -25.129 21.665 1.00 0.00 H new ATOM 0 HA TYR A 24 12.887 -25.219 21.873 1.00 0.00 H new ATOM 0 HB2 TYR A 24 15.041 -23.726 23.445 1.00 0.00 H new ATOM 0 HB3 TYR A 24 13.350 -23.805 23.899 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.295 -26.054 24.407 1.00 0.00 H new ATOM 0 HD2 TYR A 24 16.527 -25.586 23.831 1.00 0.00 H new ATOM 0 HE1 TYR A 24 12.687 -28.240 25.509 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.917 -27.775 24.931 1.00 0.00 H new ATOM 0 HH TYR A 24 16.006 -29.558 25.917 1.00 0.00 H new ATOM 373 N LYS A 25 14.281 -22.802 20.343 1.00 0.00 N ATOM 374 CA LYS A 25 14.066 -21.542 19.636 1.00 0.00 C ATOM 375 C LYS A 25 13.325 -21.789 18.325 1.00 0.00 C ATOM 376 O LYS A 25 12.720 -20.878 17.759 1.00 0.00 O ATOM 377 CB LYS A 25 15.412 -20.872 19.347 1.00 0.00 C ATOM 378 CG LYS A 25 15.174 -19.484 18.749 1.00 0.00 C ATOM 379 CD LYS A 25 16.514 -18.772 18.561 1.00 0.00 C ATOM 380 CE LYS A 25 16.272 -17.375 17.987 1.00 0.00 C ATOM 381 NZ LYS A 25 17.572 -16.655 17.869 1.00 0.00 N ATOM 0 H LYS A 25 15.129 -23.300 20.072 1.00 0.00 H new ATOM 0 HA LYS A 25 13.463 -20.887 20.265 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.993 -20.789 20.265 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.993 -21.483 18.656 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.660 -19.572 17.792 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.529 -18.900 19.405 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.037 -18.700 19.515 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.153 -19.347 17.890 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.795 -17.449 17.010 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.592 -16.818 18.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.408 -15.705 17.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.010 -16.573 18.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.206 -17.184 17.237 1.00 0.00 H new ATOM 395 N ARG A 26 13.373 -23.030 17.849 1.00 0.00 N ATOM 396 CA ARG A 26 12.705 -23.389 16.606 1.00 0.00 C ATOM 397 C ARG A 26 11.195 -23.331 16.777 1.00 0.00 C ATOM 398 O ARG A 26 10.483 -22.864 15.893 1.00 0.00 O ATOM 399 CB ARG A 26 13.112 -24.802 16.173 1.00 0.00 C ATOM 400 CG ARG A 26 12.471 -25.134 14.819 1.00 0.00 C ATOM 401 CD ARG A 26 12.881 -26.543 14.387 1.00 0.00 C ATOM 402 NE ARG A 26 14.309 -26.587 14.095 1.00 0.00 N ATOM 403 CZ ARG A 26 14.895 -27.711 13.694 1.00 0.00 C ATOM 404 NH1 ARG A 26 14.190 -28.799 13.551 1.00 0.00 N ATOM 405 NH2 ARG A 26 16.176 -27.726 13.442 1.00 0.00 N ATOM 0 H ARG A 26 13.865 -23.799 18.304 1.00 0.00 H new ATOM 0 HA ARG A 26 13.006 -22.675 15.840 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.197 -24.871 16.099 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.797 -25.527 16.923 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.386 -25.067 14.893 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.784 -24.408 14.069 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.642 -27.257 15.176 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.313 -26.840 13.505 1.00 0.00 H new ATOM 0 HE ARG A 26 14.868 -25.740 14.200 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.189 -28.788 13.747 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.640 -29.661 13.243 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.728 -26.875 13.553 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.625 -28.589 13.134 1.00 0.00 H new ATOM 419 N ILE A 27 10.709 -23.823 17.910 1.00 0.00 N ATOM 420 CA ILE A 27 9.275 -23.833 18.159 1.00 0.00 C ATOM 421 C ILE A 27 8.738 -22.412 18.191 1.00 0.00 C ATOM 422 O ILE A 27 7.712 -22.107 17.585 1.00 0.00 O ATOM 423 CB ILE A 27 8.985 -24.518 19.498 1.00 0.00 C ATOM 424 CG1 ILE A 27 7.474 -24.524 19.763 1.00 0.00 C ATOM 425 CG2 ILE A 27 9.692 -23.758 20.623 1.00 0.00 C ATOM 426 CD1 ILE A 27 7.169 -25.438 20.955 1.00 0.00 C ATOM 0 H ILE A 27 11.278 -24.215 18.660 1.00 0.00 H new ATOM 0 HA ILE A 27 8.784 -24.382 17.356 1.00 0.00 H new ATOM 0 HB ILE A 27 9.350 -25.545 19.461 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.126 -23.512 19.969 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.940 -24.871 18.878 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.486 -24.245 21.576 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.767 -23.756 20.441 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.327 -22.731 20.654 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.096 -25.443 21.144 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.503 -26.451 20.731 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.691 -25.071 21.838 1.00 0.00 H new ATOM 438 N LEU A 28 9.450 -21.545 18.896 1.00 0.00 N ATOM 439 CA LEU A 28 9.056 -20.147 18.998 1.00 0.00 C ATOM 440 C LEU A 28 9.155 -19.471 17.636 1.00 0.00 C ATOM 441 O LEU A 28 8.316 -18.646 17.279 1.00 0.00 O ATOM 442 CB LEU A 28 9.953 -19.420 20.009 1.00 0.00 C ATOM 443 CG LEU A 28 9.526 -17.949 20.142 1.00 0.00 C ATOM 444 CD1 LEU A 28 8.071 -17.855 20.635 1.00 0.00 C ATOM 445 CD2 LEU A 28 10.461 -17.249 21.139 1.00 0.00 C ATOM 0 H LEU A 28 10.301 -21.784 19.405 1.00 0.00 H new ATOM 0 HA LEU A 28 8.022 -20.099 19.341 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.892 -19.912 20.979 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.993 -19.476 19.688 1.00 0.00 H new ATOM 0 HG LEU A 28 9.591 -17.464 19.168 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.784 -16.807 20.724 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.413 -18.352 19.923 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.985 -18.339 21.608 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.167 -16.204 21.241 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.393 -17.742 22.109 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.487 -17.303 20.775 1.00 0.00 H new ATOM 457 N ALA A 29 10.199 -19.816 16.886 1.00 0.00 N ATOM 458 CA ALA A 29 10.413 -19.225 15.569 1.00 0.00 C ATOM 459 C ALA A 29 9.195 -19.437 14.678 1.00 0.00 C ATOM 460 O ALA A 29 8.821 -18.555 13.905 1.00 0.00 O ATOM 461 CB ALA A 29 11.643 -19.851 14.913 1.00 0.00 C ATOM 0 H ALA A 29 10.905 -20.497 17.166 1.00 0.00 H new ATOM 0 HA ALA A 29 10.571 -18.154 15.694 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.797 -19.406 13.930 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.519 -19.670 15.535 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.491 -20.925 14.805 1.00 0.00 H new ATOM 467 N LYS A 30 8.581 -20.608 14.790 1.00 0.00 N ATOM 468 CA LYS A 30 7.406 -20.913 13.988 1.00 0.00 C ATOM 469 C LYS A 30 6.285 -19.939 14.314 1.00 0.00 C ATOM 470 O LYS A 30 5.604 -19.438 13.421 1.00 0.00 O ATOM 471 CB LYS A 30 6.937 -22.339 14.280 1.00 0.00 C ATOM 472 CG LYS A 30 7.993 -23.355 13.825 1.00 0.00 C ATOM 473 CD LYS A 30 8.001 -23.492 12.298 1.00 0.00 C ATOM 474 CE LYS A 30 8.800 -24.738 11.906 1.00 0.00 C ATOM 475 NZ LYS A 30 8.830 -24.857 10.422 1.00 0.00 N ATOM 0 H LYS A 30 8.874 -21.354 15.421 1.00 0.00 H new ATOM 0 HA LYS A 30 7.667 -20.822 12.933 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.748 -22.455 15.347 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.995 -22.531 13.767 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.978 -23.041 14.171 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.790 -24.325 14.280 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.980 -23.567 11.923 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.443 -22.605 11.844 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.815 -24.671 12.297 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.347 -25.627 12.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.687 -25.371 10.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.989 -25.376 10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.835 -23.908 9.998 1.00 0.00 H new ATOM 489 N LEU A 31 6.096 -19.666 15.599 1.00 0.00 N ATOM 490 CA LEU A 31 5.053 -18.742 16.010 1.00 0.00 C ATOM 491 C LEU A 31 5.336 -17.355 15.446 1.00 0.00 C ATOM 492 O LEU A 31 4.434 -16.683 14.949 1.00 0.00 O ATOM 493 CB LEU A 31 4.985 -18.674 17.539 1.00 0.00 C ATOM 494 CG LEU A 31 3.889 -17.692 17.982 1.00 0.00 C ATOM 495 CD1 LEU A 31 2.517 -18.134 17.445 1.00 0.00 C ATOM 496 CD2 LEU A 31 3.859 -17.646 19.511 1.00 0.00 C ATOM 0 H LEU A 31 6.643 -20.065 16.362 1.00 0.00 H new ATOM 0 HA LEU A 31 4.097 -19.097 15.626 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.781 -19.665 17.945 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.949 -18.358 17.939 1.00 0.00 H new ATOM 0 HG LEU A 31 4.108 -16.702 17.582 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.754 -17.426 17.769 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.545 -18.164 16.356 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.278 -19.126 17.829 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.085 -16.952 19.839 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.644 -18.641 19.901 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.827 -17.312 19.884 1.00 0.00 H new ATOM 508 N GLN A 32 6.592 -16.931 15.531 1.00 0.00 N ATOM 509 CA GLN A 32 6.976 -15.618 15.028 1.00 0.00 C ATOM 510 C GLN A 32 6.773 -15.544 13.521 1.00 0.00 C ATOM 511 O GLN A 32 6.193 -14.585 13.011 1.00 0.00 O ATOM 512 CB GLN A 32 8.444 -15.343 15.365 1.00 0.00 C ATOM 513 CG GLN A 32 8.836 -13.942 14.884 1.00 0.00 C ATOM 514 CD GLN A 32 10.283 -13.646 15.267 1.00 0.00 C ATOM 515 OE1 GLN A 32 11.194 -14.367 14.861 1.00 0.00 O ATOM 516 NE2 GLN A 32 10.550 -12.618 16.026 1.00 0.00 N ATOM 0 H GLN A 32 7.355 -17.471 15.939 1.00 0.00 H new ATOM 0 HA GLN A 32 6.347 -14.865 15.503 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.601 -15.425 16.441 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.081 -16.091 14.892 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.716 -13.873 13.803 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.174 -13.198 15.327 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.794 -12.022 16.361 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.515 -12.411 16.284 1.00 0.00 H new ATOM 525 N ARG A 33 7.252 -16.559 12.811 1.00 0.00 N ATOM 526 CA ARG A 33 7.109 -16.588 11.363 1.00 0.00 C ATOM 527 C ARG A 33 5.638 -16.733 10.987 1.00 0.00 C ATOM 528 O ARG A 33 5.148 -16.055 10.084 1.00 0.00 O ATOM 529 CB ARG A 33 7.913 -17.752 10.781 1.00 0.00 C ATOM 530 CG ARG A 33 7.842 -17.710 9.253 1.00 0.00 C ATOM 531 CD ARG A 33 8.671 -18.856 8.670 1.00 0.00 C ATOM 532 NE ARG A 33 8.790 -18.707 7.225 1.00 0.00 N ATOM 533 CZ ARG A 33 9.474 -19.583 6.498 1.00 0.00 C ATOM 534 NH1 ARG A 33 10.057 -20.598 7.076 1.00 0.00 N ATOM 535 NH2 ARG A 33 9.567 -19.427 5.206 1.00 0.00 N ATOM 0 H ARG A 33 7.737 -17.363 13.210 1.00 0.00 H new ATOM 0 HA ARG A 33 7.490 -15.653 10.952 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.951 -17.691 11.109 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.518 -18.699 11.148 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.806 -17.793 8.924 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.217 -16.754 8.887 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.662 -18.866 9.125 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.202 -19.811 8.907 1.00 0.00 H new ATOM 0 HE ARG A 33 8.340 -17.916 6.764 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.987 -20.719 8.086 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.582 -21.271 6.517 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.114 -18.632 4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.092 -20.100 4.648 1.00 0.00 H new ATOM 549 N ILE A 34 4.938 -17.619 11.695 1.00 0.00 N ATOM 550 CA ILE A 34 3.519 -17.842 11.436 1.00 0.00 C ATOM 551 C ILE A 34 2.721 -16.583 11.755 1.00 0.00 C ATOM 552 O ILE A 34 1.838 -16.194 11.001 1.00 0.00 O ATOM 553 CB ILE A 34 3.005 -19.019 12.287 1.00 0.00 C ATOM 554 CG1 ILE A 34 3.621 -20.346 11.780 1.00 0.00 C ATOM 555 CG2 ILE A 34 1.469 -19.077 12.227 1.00 0.00 C ATOM 556 CD1 ILE A 34 2.796 -20.949 10.632 1.00 0.00 C ATOM 0 H ILE A 34 5.328 -18.189 12.446 1.00 0.00 H new ATOM 0 HA ILE A 34 3.390 -18.083 10.381 1.00 0.00 H new ATOM 0 HB ILE A 34 3.306 -18.871 13.324 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.642 -20.168 11.441 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.678 -21.059 12.602 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.113 -19.911 12.831 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.054 -18.146 12.614 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.150 -19.215 11.194 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.258 -21.879 10.302 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.783 -21.150 10.979 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.762 -20.246 9.800 1.00 0.00 H new ATOM 568 N HIS A 35 3.034 -15.952 12.879 1.00 0.00 N ATOM 569 CA HIS A 35 2.325 -14.743 13.278 1.00 0.00 C ATOM 570 C HIS A 35 2.158 -13.793 12.094 1.00 0.00 C ATOM 571 O HIS A 35 1.046 -13.370 11.778 1.00 0.00 O ATOM 572 CB HIS A 35 3.092 -14.040 14.398 1.00 0.00 C ATOM 573 CG HIS A 35 2.358 -12.795 14.799 1.00 0.00 C ATOM 574 ND1 HIS A 35 2.690 -11.547 14.298 1.00 0.00 N ATOM 575 CD2 HIS A 35 1.305 -12.588 15.656 1.00 0.00 C ATOM 576 CE1 HIS A 35 1.853 -10.652 14.851 1.00 0.00 C ATOM 577 NE2 HIS A 35 0.989 -11.235 15.687 1.00 0.00 N ATOM 0 H HIS A 35 3.765 -16.252 13.524 1.00 0.00 H new ATOM 0 HA HIS A 35 1.335 -15.027 13.634 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.197 -14.705 15.255 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.099 -13.790 14.063 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.800 -13.359 16.219 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.876 -9.592 14.645 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.254 -10.783 16.232 1.00 0.00 H new ATOM 585 N ASN A 36 3.267 -13.460 11.443 1.00 0.00 N ATOM 586 CA ASN A 36 3.227 -12.558 10.297 1.00 0.00 C ATOM 587 C ASN A 36 2.450 -13.184 9.140 1.00 0.00 C ATOM 588 O ASN A 36 1.661 -12.515 8.472 1.00 0.00 O ATOM 589 CB ASN A 36 4.653 -12.246 9.843 1.00 0.00 C ATOM 590 CG ASN A 36 5.369 -11.426 10.910 1.00 0.00 C ATOM 591 OD1 ASN A 36 4.819 -10.452 11.422 1.00 0.00 O ATOM 592 ND2 ASN A 36 6.571 -11.771 11.282 1.00 0.00 N ATOM 0 H ASN A 36 4.198 -13.798 11.686 1.00 0.00 H new ATOM 0 HA ASN A 36 2.723 -11.639 10.597 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.196 -13.173 9.659 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.632 -11.696 8.902 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.057 -11.233 11.999 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.025 -12.579 10.856 1.00 0.00 H new ATOM 599 N SER A 37 2.684 -14.474 8.912 1.00 0.00 N ATOM 600 CA SER A 37 2.020 -15.212 7.843 1.00 0.00 C ATOM 601 C SER A 37 0.768 -15.897 8.372 1.00 0.00 C ATOM 602 O SER A 37 0.317 -16.897 7.824 1.00 0.00 O ATOM 603 CB SER A 37 2.970 -16.252 7.250 1.00 0.00 C ATOM 604 OG SER A 37 4.237 -15.651 7.014 1.00 0.00 O ATOM 0 H SER A 37 3.336 -15.034 9.461 1.00 0.00 H new ATOM 0 HA SER A 37 1.733 -14.508 7.062 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.076 -17.095 7.932 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.562 -16.645 6.319 1.00 0.00 H new ATOM 0 HG SER A 37 4.749 -15.628 7.849 1.00 0.00 H new ATOM 610 N ASN A 38 0.227 -15.386 9.469 1.00 0.00 N ATOM 611 CA ASN A 38 -0.951 -16.002 10.066 1.00 0.00 C ATOM 612 C ASN A 38 -1.973 -16.361 8.995 1.00 0.00 C ATOM 613 O ASN A 38 -2.485 -15.496 8.285 1.00 0.00 O ATOM 614 CB ASN A 38 -1.590 -15.034 11.063 1.00 0.00 C ATOM 615 CG ASN A 38 -2.783 -15.694 11.745 1.00 0.00 C ATOM 616 OD1 ASN A 38 -2.714 -16.859 12.139 1.00 0.00 O ATOM 617 ND2 ASN A 38 -3.885 -15.013 11.903 1.00 0.00 N ATOM 0 H ASN A 38 0.577 -14.561 9.957 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.640 -16.913 10.578 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.856 -14.732 11.810 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.911 -14.129 10.548 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.692 -15.445 12.354 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.940 -14.048 11.576 1.00 0.00 H new ATOM 624 N ILE A 39 -2.260 -17.654 8.901 1.00 0.00 N ATOM 625 CA ILE A 39 -3.224 -18.156 7.933 1.00 0.00 C ATOM 626 C ILE A 39 -2.851 -17.721 6.517 1.00 0.00 C ATOM 627 O ILE A 39 -3.478 -16.823 5.956 1.00 0.00 O ATOM 628 CB ILE A 39 -4.614 -17.625 8.270 1.00 0.00 C ATOM 629 CG1 ILE A 39 -4.958 -17.979 9.711 1.00 0.00 C ATOM 630 CG2 ILE A 39 -5.642 -18.269 7.339 1.00 0.00 C ATOM 631 CD1 ILE A 39 -6.214 -17.217 10.132 1.00 0.00 C ATOM 0 H ILE A 39 -1.837 -18.375 9.486 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.219 -19.245 7.979 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.628 -16.542 8.144 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.121 -19.053 9.805 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.127 -17.725 10.369 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.636 -17.891 7.578 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.400 -18.025 6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.624 -19.351 7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.463 -17.468 11.163 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.033 -16.145 10.053 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.043 -17.494 9.481 1.00 0.00 H new ATOM 643 N LEU A 40 -1.831 -18.357 5.936 1.00 0.00 N ATOM 644 CA LEU A 40 -1.396 -18.020 4.570 1.00 0.00 C ATOM 645 C LEU A 40 -1.461 -19.260 3.681 1.00 0.00 C ATOM 646 O LEU A 40 -0.924 -20.305 4.024 1.00 0.00 O ATOM 647 CB LEU A 40 0.043 -17.458 4.599 1.00 0.00 C ATOM 648 CG LEU A 40 0.185 -16.269 3.638 1.00 0.00 C ATOM 649 CD1 LEU A 40 1.588 -15.667 3.775 1.00 0.00 C ATOM 650 CD2 LEU A 40 -0.031 -16.741 2.198 1.00 0.00 C ATOM 0 H LEU A 40 -1.293 -19.101 6.381 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.062 -17.260 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.295 -17.144 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.749 -18.241 4.323 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.561 -15.514 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.690 -14.823 3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.739 -15.326 4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.334 -16.423 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.070 -15.895 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.712 -17.498 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.030 -17.167 2.101 1.00 0.00 H new ATOM 662 N ASP A 41 -2.120 -19.140 2.541 1.00 0.00 N ATOM 663 CA ASP A 41 -2.244 -20.266 1.627 1.00 0.00 C ATOM 664 C ASP A 41 -0.918 -21.009 1.483 1.00 0.00 C ATOM 665 O ASP A 41 -0.892 -22.202 1.179 1.00 0.00 O ATOM 666 CB ASP A 41 -2.723 -19.771 0.263 1.00 0.00 C ATOM 667 CG ASP A 41 -3.235 -20.941 -0.569 1.00 0.00 C ATOM 668 OD1 ASP A 41 -3.035 -22.069 -0.153 1.00 0.00 O ATOM 669 OD2 ASP A 41 -3.823 -20.690 -1.608 1.00 0.00 O ATOM 0 H ASP A 41 -2.574 -18.283 2.227 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.975 -20.963 2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.515 -19.033 0.393 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.906 -19.273 -0.259 1.00 0.00 H new ATOM 674 N GLU A 42 0.179 -20.298 1.702 1.00 0.00 N ATOM 675 CA GLU A 42 1.506 -20.895 1.595 1.00 0.00 C ATOM 676 C GLU A 42 1.920 -21.590 2.897 1.00 0.00 C ATOM 677 O GLU A 42 2.230 -22.782 2.903 1.00 0.00 O ATOM 678 CB GLU A 42 2.512 -19.797 1.272 1.00 0.00 C ATOM 679 CG GLU A 42 2.236 -19.232 -0.124 1.00 0.00 C ATOM 680 CD GLU A 42 2.553 -20.277 -1.189 1.00 0.00 C ATOM 681 OE1 GLU A 42 3.143 -21.289 -0.845 1.00 0.00 O ATOM 682 OE2 GLU A 42 2.223 -20.041 -2.339 1.00 0.00 O ATOM 0 H GLU A 42 0.178 -19.310 1.954 1.00 0.00 H new ATOM 0 HA GLU A 42 1.483 -21.646 0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.447 -19.002 2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.526 -20.195 1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.192 -18.929 -0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.840 -18.340 -0.289 1.00 0.00 H new ATOM 689 N ARG A 43 1.940 -20.827 3.992 1.00 0.00 N ATOM 690 CA ARG A 43 2.341 -21.362 5.297 1.00 0.00 C ATOM 691 C ARG A 43 1.233 -22.223 5.898 1.00 0.00 C ATOM 692 O ARG A 43 1.479 -23.030 6.796 1.00 0.00 O ATOM 693 CB ARG A 43 2.691 -20.209 6.253 1.00 0.00 C ATOM 694 CG ARG A 43 3.650 -19.232 5.562 1.00 0.00 C ATOM 695 CD ARG A 43 4.892 -19.974 5.064 1.00 0.00 C ATOM 696 NE ARG A 43 5.944 -19.019 4.728 1.00 0.00 N ATOM 697 CZ ARG A 43 6.843 -19.278 3.781 1.00 0.00 C ATOM 698 NH1 ARG A 43 6.803 -20.411 3.131 1.00 0.00 N ATOM 699 NH2 ARG A 43 7.767 -18.402 3.504 1.00 0.00 N ATOM 0 H ARG A 43 1.684 -19.840 4.002 1.00 0.00 H new ATOM 0 HA ARG A 43 3.221 -21.989 5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.783 -19.688 6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.150 -20.603 7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.147 -18.748 4.725 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.942 -18.445 6.257 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.246 -20.662 5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.641 -20.574 4.189 1.00 0.00 H new ATOM 0 HE ARG A 43 5.991 -18.133 5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.082 -21.099 3.349 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.493 -20.607 2.406 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.801 -17.519 4.013 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.456 -18.600 2.779 1.00 0.00 H new ATOM 713 N GLN A 44 0.016 -22.051 5.393 1.00 0.00 N ATOM 714 CA GLN A 44 -1.129 -22.820 5.877 1.00 0.00 C ATOM 715 C GLN A 44 -0.749 -24.296 6.001 1.00 0.00 C ATOM 716 O GLN A 44 -1.254 -25.004 6.870 1.00 0.00 O ATOM 717 CB GLN A 44 -2.319 -22.650 4.904 1.00 0.00 C ATOM 718 CG GLN A 44 -3.234 -21.502 5.367 1.00 0.00 C ATOM 719 CD GLN A 44 -4.261 -21.184 4.282 1.00 0.00 C ATOM 720 OE1 GLN A 44 -4.526 -20.015 4.000 1.00 0.00 O ATOM 721 NE2 GLN A 44 -4.860 -22.160 3.655 1.00 0.00 N ATOM 0 H GLN A 44 -0.205 -21.388 4.650 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.422 -22.452 6.860 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.949 -22.445 3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.888 -23.578 4.851 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.742 -21.780 6.290 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.638 -20.616 5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.640 -23.128 3.889 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.548 -21.955 2.931 1.00 0.00 H new ATOM 730 N GLY A 45 0.145 -24.750 5.134 1.00 0.00 N ATOM 731 CA GLY A 45 0.588 -26.136 5.175 1.00 0.00 C ATOM 732 C GLY A 45 1.453 -26.383 6.404 1.00 0.00 C ATOM 733 O GLY A 45 1.431 -27.467 6.987 1.00 0.00 O ATOM 0 H GLY A 45 0.574 -24.185 4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.276 -26.800 5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.152 -26.370 4.273 1.00 0.00 H new ATOM 737 N LEU A 46 2.225 -25.370 6.781 1.00 0.00 N ATOM 738 CA LEU A 46 3.113 -25.481 7.931 1.00 0.00 C ATOM 739 C LEU A 46 2.296 -25.676 9.211 1.00 0.00 C ATOM 740 O LEU A 46 2.745 -26.321 10.156 1.00 0.00 O ATOM 741 CB LEU A 46 4.002 -24.223 8.034 1.00 0.00 C ATOM 742 CG LEU A 46 5.404 -24.587 8.566 1.00 0.00 C ATOM 743 CD1 LEU A 46 6.253 -23.316 8.690 1.00 0.00 C ATOM 744 CD2 LEU A 46 5.294 -25.266 9.936 1.00 0.00 C ATOM 0 H LEU A 46 2.254 -24.466 6.309 1.00 0.00 H new ATOM 0 HA LEU A 46 3.758 -26.350 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.090 -23.753 7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.534 -23.494 8.696 1.00 0.00 H new ATOM 0 HG LEU A 46 5.877 -25.277 7.867 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.243 -23.575 9.066 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.348 -22.845 7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.772 -22.623 9.381 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.291 -25.517 10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.812 -24.588 10.640 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.701 -26.176 9.844 1.00 0.00 H new ATOM 756 N MET A 47 1.093 -25.109 9.235 1.00 0.00 N ATOM 757 CA MET A 47 0.230 -25.222 10.406 1.00 0.00 C ATOM 758 C MET A 47 -0.074 -26.689 10.703 1.00 0.00 C ATOM 759 O MET A 47 -0.108 -27.100 11.862 1.00 0.00 O ATOM 760 CB MET A 47 -1.083 -24.471 10.160 1.00 0.00 C ATOM 761 CG MET A 47 -0.847 -22.965 10.271 1.00 0.00 C ATOM 762 SD MET A 47 -2.375 -22.088 9.870 1.00 0.00 S ATOM 763 CE MET A 47 -1.699 -20.415 9.956 1.00 0.00 C ATOM 0 H MET A 47 0.697 -24.571 8.464 1.00 0.00 H new ATOM 0 HA MET A 47 0.746 -24.785 11.261 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.473 -24.715 9.172 1.00 0.00 H new ATOM 0 HB3 MET A 47 -1.834 -24.785 10.885 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.522 -22.710 11.280 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.050 -22.659 9.593 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.466 -19.731 10.320 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.848 -20.401 10.637 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.375 -20.102 8.963 1.00 0.00 H new ATOM 773 N HIS A 48 -0.296 -27.474 9.655 1.00 0.00 N ATOM 774 CA HIS A 48 -0.596 -28.889 9.834 1.00 0.00 C ATOM 775 C HIS A 48 0.565 -29.609 10.515 1.00 0.00 C ATOM 776 O HIS A 48 0.369 -30.323 11.495 1.00 0.00 O ATOM 777 CB HIS A 48 -0.867 -29.538 8.476 1.00 0.00 C ATOM 778 CG HIS A 48 -1.216 -30.986 8.677 1.00 0.00 C ATOM 779 ND1 HIS A 48 -0.375 -31.863 9.344 1.00 0.00 N ATOM 780 CD2 HIS A 48 -2.309 -31.726 8.303 1.00 0.00 C ATOM 781 CE1 HIS A 48 -0.969 -33.070 9.351 1.00 0.00 C ATOM 782 NE2 HIS A 48 -2.152 -33.042 8.729 1.00 0.00 N ATOM 0 H HIS A 48 -0.274 -27.160 8.685 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.480 -28.973 10.466 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.683 -29.022 7.970 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.011 -29.449 7.836 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.162 -31.345 7.760 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -0.543 -33.953 9.803 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -2.800 -33.818 8.595 1.00 0.00 H new ATOM 790 N GLU A 49 1.773 -29.409 9.994 1.00 0.00 N ATOM 791 CA GLU A 49 2.964 -30.040 10.562 1.00 0.00 C ATOM 792 C GLU A 49 3.319 -29.413 11.903 1.00 0.00 C ATOM 793 O GLU A 49 3.886 -30.068 12.777 1.00 0.00 O ATOM 794 CB GLU A 49 4.144 -29.895 9.601 1.00 0.00 C ATOM 795 CG GLU A 49 3.885 -30.733 8.348 1.00 0.00 C ATOM 796 CD GLU A 49 3.943 -32.218 8.691 1.00 0.00 C ATOM 797 OE1 GLU A 49 4.548 -32.550 9.698 1.00 0.00 O ATOM 798 OE2 GLU A 49 3.379 -33.001 7.945 1.00 0.00 O ATOM 0 H GLU A 49 1.954 -28.818 9.183 1.00 0.00 H new ATOM 0 HA GLU A 49 2.749 -31.098 10.715 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.280 -28.848 9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.064 -30.221 10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.909 -30.486 7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.627 -30.499 7.584 1.00 0.00 H new ATOM 805 N LEU A 50 2.992 -28.135 12.052 1.00 0.00 N ATOM 806 CA LEU A 50 3.289 -27.416 13.284 1.00 0.00 C ATOM 807 C LEU A 50 2.572 -28.057 14.465 1.00 0.00 C ATOM 808 O LEU A 50 3.095 -28.090 15.578 1.00 0.00 O ATOM 809 CB LEU A 50 2.854 -25.953 13.158 1.00 0.00 C ATOM 810 CG LEU A 50 3.226 -25.165 14.429 1.00 0.00 C ATOM 811 CD1 LEU A 50 4.750 -25.192 14.656 1.00 0.00 C ATOM 812 CD2 LEU A 50 2.750 -23.711 14.275 1.00 0.00 C ATOM 0 H LEU A 50 2.523 -27.577 11.338 1.00 0.00 H new ATOM 0 HA LEU A 50 4.365 -27.462 13.455 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.332 -25.499 12.290 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.778 -25.901 12.993 1.00 0.00 H new ATOM 0 HG LEU A 50 2.741 -25.626 15.290 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.994 -24.630 15.558 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.083 -26.224 14.770 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.253 -24.741 13.801 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.009 -23.146 15.171 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.234 -23.260 13.409 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.669 -23.695 14.136 1.00 0.00 H new ATOM 824 N MET A 51 1.362 -28.547 14.220 1.00 0.00 N ATOM 825 CA MET A 51 0.574 -29.164 15.278 1.00 0.00 C ATOM 826 C MET A 51 1.329 -30.331 15.906 1.00 0.00 C ATOM 827 O MET A 51 1.343 -30.483 17.129 1.00 0.00 O ATOM 828 CB MET A 51 -0.754 -29.664 14.698 1.00 0.00 C ATOM 829 CG MET A 51 -1.619 -30.267 15.812 1.00 0.00 C ATOM 830 SD MET A 51 -1.114 -31.985 16.103 1.00 0.00 S ATOM 831 CE MET A 51 -2.753 -32.754 16.039 1.00 0.00 C ATOM 0 H MET A 51 0.909 -28.529 13.306 1.00 0.00 H new ATOM 0 HA MET A 51 0.385 -28.419 16.051 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.284 -28.841 14.220 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.565 -30.412 13.928 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.511 -29.685 16.727 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.672 -30.228 15.532 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.657 -33.828 16.198 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.386 -32.327 16.817 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.203 -32.570 15.063 1.00 0.00 H new ATOM 841 N GLU A 52 1.954 -31.148 15.071 1.00 0.00 N ATOM 842 CA GLU A 52 2.709 -32.297 15.560 1.00 0.00 C ATOM 843 C GLU A 52 3.973 -31.842 16.286 1.00 0.00 C ATOM 844 O GLU A 52 4.335 -32.393 17.324 1.00 0.00 O ATOM 845 CB GLU A 52 3.094 -33.216 14.386 1.00 0.00 C ATOM 846 CG GLU A 52 1.865 -33.992 13.887 1.00 0.00 C ATOM 847 CD GLU A 52 0.993 -33.106 13.004 1.00 0.00 C ATOM 848 OE1 GLU A 52 1.293 -31.931 12.902 1.00 0.00 O ATOM 849 OE2 GLU A 52 0.026 -33.614 12.459 1.00 0.00 O ATOM 0 H GLU A 52 1.955 -31.040 14.057 1.00 0.00 H new ATOM 0 HA GLU A 52 2.079 -32.846 16.259 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.512 -32.622 13.573 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.869 -33.914 14.702 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.186 -34.870 13.327 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.285 -34.351 14.737 1.00 0.00 H new ATOM 856 N LEU A 53 4.645 -30.842 15.731 1.00 0.00 N ATOM 857 CA LEU A 53 5.868 -30.337 16.339 1.00 0.00 C ATOM 858 C LEU A 53 5.579 -29.749 17.717 1.00 0.00 C ATOM 859 O LEU A 53 6.326 -29.979 18.667 1.00 0.00 O ATOM 860 CB LEU A 53 6.471 -29.255 15.443 1.00 0.00 C ATOM 861 CG LEU A 53 6.946 -29.878 14.121 1.00 0.00 C ATOM 862 CD1 LEU A 53 7.368 -28.758 13.161 1.00 0.00 C ATOM 863 CD2 LEU A 53 8.128 -30.837 14.369 1.00 0.00 C ATOM 0 H LEU A 53 4.368 -30.369 14.871 1.00 0.00 H new ATOM 0 HA LEU A 53 6.571 -31.163 16.450 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.731 -28.480 15.245 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.308 -28.775 15.950 1.00 0.00 H new ATOM 0 HG LEU A 53 6.130 -30.450 13.680 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.706 -29.193 12.221 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.519 -28.101 12.972 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.179 -28.183 13.607 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.451 -31.269 13.422 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.955 -30.287 14.818 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.814 -31.634 15.043 1.00 0.00 H new ATOM 875 N ILE A 54 4.491 -28.990 17.817 1.00 0.00 N ATOM 876 CA ILE A 54 4.117 -28.379 19.088 1.00 0.00 C ATOM 877 C ILE A 54 3.757 -29.457 20.107 1.00 0.00 C ATOM 878 O ILE A 54 4.137 -29.377 21.273 1.00 0.00 O ATOM 879 CB ILE A 54 2.930 -27.426 18.898 1.00 0.00 C ATOM 880 CG1 ILE A 54 3.361 -26.205 18.054 1.00 0.00 C ATOM 881 CG2 ILE A 54 2.409 -26.966 20.265 1.00 0.00 C ATOM 882 CD1 ILE A 54 4.073 -25.131 18.900 1.00 0.00 C ATOM 0 H ILE A 54 3.860 -28.785 17.043 1.00 0.00 H new ATOM 0 HA ILE A 54 4.969 -27.809 19.458 1.00 0.00 H new ATOM 0 HB ILE A 54 2.132 -27.951 18.373 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.025 -26.535 17.255 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.484 -25.767 17.578 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.566 -26.289 20.124 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.086 -27.833 20.842 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.204 -26.448 20.802 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.356 -24.294 18.262 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.401 -24.780 19.683 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.966 -25.559 19.354 1.00 0.00 H new ATOM 894 N ASP A 55 3.008 -30.458 19.661 1.00 0.00 N ATOM 895 CA ASP A 55 2.589 -31.530 20.545 1.00 0.00 C ATOM 896 C ASP A 55 3.792 -32.281 21.080 1.00 0.00 C ATOM 897 O ASP A 55 3.857 -32.599 22.261 1.00 0.00 O ATOM 898 CB ASP A 55 1.681 -32.499 19.789 1.00 0.00 C ATOM 899 CG ASP A 55 0.342 -31.834 19.505 1.00 0.00 C ATOM 900 OD1 ASP A 55 0.134 -30.739 19.999 1.00 0.00 O ATOM 901 OD2 ASP A 55 -0.452 -32.422 18.790 1.00 0.00 O ATOM 0 H ASP A 55 2.682 -30.547 18.699 1.00 0.00 H new ATOM 0 HA ASP A 55 2.045 -31.094 21.383 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.153 -32.800 18.854 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.531 -33.405 20.377 1.00 0.00 H new ATOM 906 N LEU A 56 4.743 -32.571 20.204 1.00 0.00 N ATOM 907 CA LEU A 56 5.929 -33.302 20.619 1.00 0.00 C ATOM 908 C LEU A 56 6.718 -32.516 21.664 1.00 0.00 C ATOM 909 O LEU A 56 7.156 -33.073 22.670 1.00 0.00 O ATOM 910 CB LEU A 56 6.820 -33.588 19.408 1.00 0.00 C ATOM 911 CG LEU A 56 6.161 -34.640 18.500 1.00 0.00 C ATOM 912 CD1 LEU A 56 6.910 -34.676 17.165 1.00 0.00 C ATOM 913 CD2 LEU A 56 6.205 -36.033 19.161 1.00 0.00 C ATOM 0 H LEU A 56 4.718 -32.316 19.217 1.00 0.00 H new ATOM 0 HA LEU A 56 5.608 -34.244 21.064 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.990 -32.669 18.848 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.795 -33.944 19.741 1.00 0.00 H new ATOM 0 HG LEU A 56 5.117 -34.372 18.338 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.453 -35.419 16.511 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.858 -33.695 16.692 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.953 -34.940 17.340 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.734 -36.763 18.503 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.242 -36.319 19.337 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.670 -36.002 20.110 1.00 0.00 H new ATOM 925 N TYR A 57 6.888 -31.223 21.424 1.00 0.00 N ATOM 926 CA TYR A 57 7.616 -30.372 22.355 1.00 0.00 C ATOM 927 C TYR A 57 6.820 -30.191 23.648 1.00 0.00 C ATOM 928 O TYR A 57 7.382 -30.205 24.743 1.00 0.00 O ATOM 929 CB TYR A 57 7.881 -29.008 21.698 1.00 0.00 C ATOM 930 CG TYR A 57 9.132 -29.083 20.843 1.00 0.00 C ATOM 931 CD1 TYR A 57 9.211 -30.015 19.799 1.00 0.00 C ATOM 932 CD2 TYR A 57 10.213 -28.228 21.100 1.00 0.00 C ATOM 933 CE1 TYR A 57 10.367 -30.090 19.014 1.00 0.00 C ATOM 934 CE2 TYR A 57 11.369 -28.306 20.315 1.00 0.00 C ATOM 935 CZ TYR A 57 11.447 -29.236 19.273 1.00 0.00 C ATOM 936 OH TYR A 57 12.588 -29.313 18.500 1.00 0.00 O ATOM 0 H TYR A 57 6.534 -30.742 20.597 1.00 0.00 H new ATOM 0 HA TYR A 57 8.567 -30.844 22.603 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.028 -28.717 21.085 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.999 -28.242 22.464 1.00 0.00 H new ATOM 0 HD1 TYR A 57 8.380 -30.675 19.600 1.00 0.00 H new ATOM 0 HD2 TYR A 57 10.154 -27.509 21.904 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.427 -30.807 18.208 1.00 0.00 H new ATOM 0 HE2 TYR A 57 12.202 -27.648 20.514 1.00 0.00 H new ATOM 0 HH TYR A 57 13.373 -29.121 19.055 1.00 0.00 H new ATOM 946 N GLU A 58 5.511 -30.019 23.506 1.00 0.00 N ATOM 947 CA GLU A 58 4.644 -29.830 24.663 1.00 0.00 C ATOM 948 C GLU A 58 4.338 -31.160 25.334 1.00 0.00 C ATOM 949 O GLU A 58 3.998 -31.201 26.509 1.00 0.00 O ATOM 950 CB GLU A 58 3.339 -29.152 24.242 1.00 0.00 C ATOM 951 CG GLU A 58 3.629 -27.731 23.750 1.00 0.00 C ATOM 952 CD GLU A 58 4.153 -26.875 24.900 1.00 0.00 C ATOM 953 OE1 GLU A 58 3.964 -27.270 26.038 1.00 0.00 O ATOM 954 OE2 GLU A 58 4.757 -25.852 24.622 1.00 0.00 O ATOM 0 H GLU A 58 5.029 -30.006 22.607 1.00 0.00 H new ATOM 0 HA GLU A 58 5.166 -29.192 25.376 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.857 -29.729 23.453 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.646 -29.121 25.083 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.362 -27.759 22.944 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.722 -27.287 23.340 1.00 0.00 H new ATOM 961 N GLU A 59 4.443 -32.248 24.581 1.00 0.00 N ATOM 962 CA GLU A 59 4.183 -33.575 25.133 1.00 0.00 C ATOM 963 C GLU A 59 5.459 -34.169 25.723 1.00 0.00 C ATOM 964 O GLU A 59 5.416 -35.149 26.464 1.00 0.00 O ATOM 965 CB GLU A 59 3.613 -34.503 24.056 1.00 0.00 C ATOM 966 CG GLU A 59 3.278 -35.867 24.666 1.00 0.00 C ATOM 967 CD GLU A 59 2.507 -36.707 23.654 1.00 0.00 C ATOM 968 OE1 GLU A 59 2.446 -36.302 22.505 1.00 0.00 O ATOM 969 OE2 GLU A 59 1.984 -37.738 24.044 1.00 0.00 O ATOM 0 H GLU A 59 4.704 -32.241 23.595 1.00 0.00 H new ATOM 0 HA GLU A 59 3.446 -33.476 25.930 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.718 -34.061 23.619 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.335 -34.624 23.249 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.194 -36.381 24.957 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.685 -35.736 25.571 1.00 0.00 H new ATOM 976 N SER A 60 6.604 -33.588 25.369 1.00 0.00 N ATOM 977 CA SER A 60 7.880 -34.108 25.851 1.00 0.00 C ATOM 978 C SER A 60 7.886 -34.300 27.372 1.00 0.00 C ATOM 979 O SER A 60 8.057 -35.418 27.855 1.00 0.00 O ATOM 980 CB SER A 60 8.997 -33.130 25.481 1.00 0.00 C ATOM 981 OG SER A 60 8.732 -31.875 26.094 1.00 0.00 O ATOM 0 H SER A 60 6.674 -32.772 24.761 1.00 0.00 H new ATOM 0 HA SER A 60 8.036 -35.079 25.382 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.961 -33.516 25.813 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.055 -33.016 24.399 1.00 0.00 H new ATOM 0 HG SER A 60 7.940 -31.471 25.682 1.00 0.00 H new ATOM 987 N GLN A 61 7.697 -33.209 28.122 1.00 0.00 N ATOM 988 CA GLN A 61 7.681 -33.271 29.600 1.00 0.00 C ATOM 989 C GLN A 61 6.287 -32.974 30.158 1.00 0.00 C ATOM 990 O GLN A 61 5.824 -33.631 31.089 1.00 0.00 O ATOM 991 CB GLN A 61 8.720 -32.285 30.191 1.00 0.00 C ATOM 992 CG GLN A 61 9.604 -33.005 31.219 1.00 0.00 C ATOM 993 CD GLN A 61 8.731 -33.628 32.301 1.00 0.00 C ATOM 994 OE1 GLN A 61 7.750 -33.022 32.734 1.00 0.00 O ATOM 995 NE2 GLN A 61 9.026 -34.811 32.764 1.00 0.00 N ATOM 0 H GLN A 61 7.553 -32.275 27.739 1.00 0.00 H new ATOM 0 HA GLN A 61 7.948 -34.286 29.894 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.338 -31.874 29.393 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.209 -31.446 30.663 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.196 -33.777 30.727 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.306 -32.301 31.665 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.839 -35.311 32.404 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.444 -35.236 33.486 1.00 0.00 H new ATOM 1004 N PRO A 62 5.615 -32.004 29.607 1.00 0.00 N ATOM 1005 CA PRO A 62 4.255 -31.616 30.059 1.00 0.00 C ATOM 1006 C PRO A 62 3.151 -32.173 29.159 1.00 0.00 C ATOM 1007 O PRO A 62 2.571 -31.470 28.334 1.00 0.00 O ATOM 1008 CB PRO A 62 4.317 -30.085 29.938 1.00 0.00 C ATOM 1009 CG PRO A 62 5.293 -29.810 28.807 1.00 0.00 C ATOM 1010 CD PRO A 62 6.093 -31.113 28.551 1.00 0.00 C ATOM 0 HA PRO A 62 4.015 -31.995 31.053 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.334 -29.668 29.719 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.656 -29.631 30.869 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.760 -29.505 27.907 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.965 -28.994 29.071 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.895 -31.520 27.559 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.168 -30.947 28.619 1.00 0.00 H new ATOM 1018 N SER A 63 2.864 -33.460 29.368 1.00 0.00 N ATOM 1019 CA SER A 63 1.821 -34.145 28.619 1.00 0.00 C ATOM 1020 C SER A 63 0.442 -33.672 29.065 1.00 0.00 C ATOM 1021 O SER A 63 -0.421 -33.396 28.242 1.00 0.00 O ATOM 1022 CB SER A 63 1.937 -35.652 28.852 1.00 0.00 C ATOM 1023 OG SER A 63 3.222 -36.096 28.434 1.00 0.00 O ATOM 0 H SER A 63 3.343 -34.045 30.052 1.00 0.00 H new ATOM 0 HA SER A 63 1.945 -33.919 27.560 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.786 -35.881 29.907 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.160 -36.178 28.297 1.00 0.00 H new ATOM 0 HG SER A 63 3.575 -35.484 27.755 1.00 0.00 H new ATOM 1029 N SER A 64 0.243 -33.572 30.379 1.00 0.00 N ATOM 1030 CA SER A 64 -1.039 -33.119 30.931 1.00 0.00 C ATOM 1031 C SER A 64 -0.847 -31.872 31.790 1.00 0.00 C ATOM 1032 O SER A 64 -1.787 -31.394 32.426 1.00 0.00 O ATOM 1033 CB SER A 64 -1.671 -34.232 31.770 1.00 0.00 C ATOM 1034 OG SER A 64 -0.799 -34.574 32.837 1.00 0.00 O ATOM 0 H SER A 64 0.948 -33.797 31.081 1.00 0.00 H new ATOM 0 HA SER A 64 -1.701 -32.872 30.101 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.633 -33.904 32.163 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.863 -35.107 31.148 1.00 0.00 H new ATOM 0 HG SER A 64 -1.204 -35.286 33.375 1.00 0.00 H new ATOM 1040 N GLU A 65 0.380 -31.357 31.823 1.00 0.00 N ATOM 1041 CA GLU A 65 0.689 -30.177 32.631 1.00 0.00 C ATOM 1042 C GLU A 65 0.401 -28.888 31.857 1.00 0.00 C ATOM 1043 O GLU A 65 -0.705 -28.352 31.914 1.00 0.00 O ATOM 1044 CB GLU A 65 2.163 -30.225 33.061 1.00 0.00 C ATOM 1045 CG GLU A 65 2.459 -29.086 34.040 1.00 0.00 C ATOM 1046 CD GLU A 65 1.809 -29.384 35.385 1.00 0.00 C ATOM 1047 OE1 GLU A 65 1.297 -30.482 35.541 1.00 0.00 O ATOM 1048 OE2 GLU A 65 1.831 -28.514 36.240 1.00 0.00 O ATOM 0 H GLU A 65 1.173 -31.734 31.304 1.00 0.00 H new ATOM 0 HA GLU A 65 0.052 -30.182 33.516 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.383 -31.185 33.529 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.809 -30.141 32.187 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.536 -28.970 34.163 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.080 -28.144 33.643 1.00 0.00 H new ATOM 1055 N ARG A 66 1.408 -28.390 31.149 1.00 0.00 N ATOM 1056 CA ARG A 66 1.270 -27.160 30.384 1.00 0.00 C ATOM 1057 C ARG A 66 0.521 -27.406 29.079 1.00 0.00 C ATOM 1058 O ARG A 66 0.099 -26.462 28.410 1.00 0.00 O ATOM 1059 CB ARG A 66 2.652 -26.582 30.086 1.00 0.00 C ATOM 1060 CG ARG A 66 3.357 -26.248 31.402 1.00 0.00 C ATOM 1061 CD ARG A 66 4.772 -25.751 31.109 1.00 0.00 C ATOM 1062 NE ARG A 66 4.719 -24.482 30.394 1.00 0.00 N ATOM 1063 CZ ARG A 66 5.819 -23.922 29.901 1.00 0.00 C ATOM 1064 NH1 ARG A 66 6.976 -24.507 30.059 1.00 0.00 N ATOM 1065 NH2 ARG A 66 5.743 -22.789 29.260 1.00 0.00 N ATOM 0 H ARG A 66 2.330 -28.821 31.090 1.00 0.00 H new ATOM 0 HA ARG A 66 0.695 -26.450 30.978 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.243 -27.299 29.516 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.559 -25.686 29.473 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.797 -25.486 31.944 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.395 -27.130 32.041 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.323 -25.629 32.041 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.310 -26.490 30.515 1.00 0.00 H new ATOM 0 HE ARG A 66 3.821 -24.015 30.270 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.035 -25.393 30.561 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.820 -24.078 29.681 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.839 -22.332 29.137 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.587 -22.359 28.882 1.00 0.00 H new ATOM 1079 N LEU A 67 0.374 -28.674 28.709 1.00 0.00 N ATOM 1080 CA LEU A 67 -0.310 -29.011 27.466 1.00 0.00 C ATOM 1081 C LEU A 67 -1.663 -28.312 27.415 1.00 0.00 C ATOM 1082 O LEU A 67 -2.068 -27.803 26.370 1.00 0.00 O ATOM 1083 CB LEU A 67 -0.520 -30.530 27.360 1.00 0.00 C ATOM 1084 CG LEU A 67 -1.074 -30.890 25.970 1.00 0.00 C ATOM 1085 CD1 LEU A 67 -0.031 -30.576 24.881 1.00 0.00 C ATOM 1086 CD2 LEU A 67 -1.431 -32.383 25.936 1.00 0.00 C ATOM 0 H LEU A 67 0.714 -29.474 29.243 1.00 0.00 H new ATOM 0 HA LEU A 67 0.308 -28.679 26.632 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.424 -31.048 27.530 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.211 -30.865 28.134 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.968 -30.296 25.777 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.437 -30.836 23.903 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.210 -29.513 24.903 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.873 -31.157 25.065 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.824 -32.641 24.952 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.538 -32.975 26.137 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.185 -32.594 26.694 1.00 0.00 H new ATOM 1098 N ASN A 68 -2.356 -28.284 28.548 1.00 0.00 N ATOM 1099 CA ASN A 68 -3.661 -27.635 28.612 1.00 0.00 C ATOM 1100 C ASN A 68 -3.521 -26.141 28.322 1.00 0.00 C ATOM 1101 O ASN A 68 -4.341 -25.558 27.616 1.00 0.00 O ATOM 1102 CB ASN A 68 -4.277 -27.838 29.997 1.00 0.00 C ATOM 1103 CG ASN A 68 -4.655 -29.305 30.194 1.00 0.00 C ATOM 1104 OD1 ASN A 68 -4.968 -29.718 31.311 1.00 0.00 O ATOM 1105 ND2 ASN A 68 -4.638 -30.124 29.176 1.00 0.00 N ATOM 0 H ASN A 68 -2.041 -28.698 29.425 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.313 -28.082 27.861 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.569 -27.530 30.767 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.160 -27.209 30.106 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.884 -31.105 29.307 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.379 -29.782 28.251 1.00 0.00 H new ATOM 1112 N ALA A 69 -2.474 -25.529 28.867 1.00 0.00 N ATOM 1113 CA ALA A 69 -2.238 -24.106 28.649 1.00 0.00 C ATOM 1114 C ALA A 69 -1.846 -23.847 27.195 1.00 0.00 C ATOM 1115 O ALA A 69 -2.276 -22.867 26.589 1.00 0.00 O ATOM 1116 CB ALA A 69 -1.125 -23.614 29.577 1.00 0.00 C ATOM 0 H ALA A 69 -1.782 -25.991 29.457 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.158 -23.564 28.868 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.954 -22.551 29.409 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.419 -23.775 30.614 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.208 -24.166 29.370 1.00 0.00 H new ATOM 1122 N PHE A 70 -1.030 -24.745 26.645 1.00 0.00 N ATOM 1123 CA PHE A 70 -0.580 -24.624 25.262 1.00 0.00 C ATOM 1124 C PHE A 70 -1.684 -25.063 24.307 1.00 0.00 C ATOM 1125 O PHE A 70 -1.640 -24.768 23.112 1.00 0.00 O ATOM 1126 CB PHE A 70 0.684 -25.467 25.034 1.00 0.00 C ATOM 1127 CG PHE A 70 1.894 -24.730 25.570 1.00 0.00 C ATOM 1128 CD1 PHE A 70 2.349 -23.581 24.914 1.00 0.00 C ATOM 1129 CD2 PHE A 70 2.557 -25.189 26.715 1.00 0.00 C ATOM 1130 CE1 PHE A 70 3.465 -22.890 25.399 1.00 0.00 C ATOM 1131 CE2 PHE A 70 3.675 -24.498 27.199 1.00 0.00 C ATOM 1132 CZ PHE A 70 4.128 -23.348 26.542 1.00 0.00 C ATOM 0 H PHE A 70 -0.668 -25.563 27.136 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.341 -23.579 25.066 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.584 -26.432 25.532 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.811 -25.669 23.970 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.838 -23.227 24.031 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.207 -26.075 27.224 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.814 -22.003 24.891 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.188 -24.853 28.080 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.989 -22.815 26.917 1.00 0.00 H new ATOM 1142 N ARG A 71 -2.674 -25.768 24.841 1.00 0.00 N ATOM 1143 CA ARG A 71 -3.784 -26.239 24.024 1.00 0.00 C ATOM 1144 C ARG A 71 -4.372 -25.080 23.232 1.00 0.00 C ATOM 1145 O ARG A 71 -4.863 -25.262 22.119 1.00 0.00 O ATOM 1146 CB ARG A 71 -4.862 -26.857 24.910 1.00 0.00 C ATOM 1147 CG ARG A 71 -5.974 -27.435 24.034 1.00 0.00 C ATOM 1148 CD ARG A 71 -6.993 -28.156 24.916 1.00 0.00 C ATOM 1149 NE ARG A 71 -6.393 -29.346 25.508 1.00 0.00 N ATOM 1150 CZ ARG A 71 -7.093 -30.146 26.307 1.00 0.00 C ATOM 1151 NH1 ARG A 71 -8.338 -29.867 26.582 1.00 0.00 N ATOM 1152 NH2 ARG A 71 -6.535 -31.210 26.817 1.00 0.00 N ATOM 0 H ARG A 71 -2.731 -26.024 25.827 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.416 -26.996 23.332 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.431 -27.641 25.532 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.270 -26.103 25.584 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.462 -26.638 23.473 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.554 -28.127 23.304 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.343 -27.487 25.702 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.864 -28.435 24.324 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.418 -29.569 25.305 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.774 -29.035 26.184 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.875 -30.481 27.195 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.562 -31.428 26.603 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.072 -31.824 27.430 1.00 0.00 H new ATOM 1166 N GLU A 72 -4.308 -23.883 23.806 1.00 0.00 N ATOM 1167 CA GLU A 72 -4.827 -22.707 23.127 1.00 0.00 C ATOM 1168 C GLU A 72 -4.070 -22.492 21.824 1.00 0.00 C ATOM 1169 O GLU A 72 -4.662 -22.189 20.791 1.00 0.00 O ATOM 1170 CB GLU A 72 -4.667 -21.471 24.013 1.00 0.00 C ATOM 1171 CG GLU A 72 -5.585 -21.594 25.227 1.00 0.00 C ATOM 1172 CD GLU A 72 -5.380 -20.408 26.164 1.00 0.00 C ATOM 1173 OE1 GLU A 72 -4.625 -19.518 25.808 1.00 0.00 O ATOM 1174 OE2 GLU A 72 -5.981 -20.406 27.226 1.00 0.00 O ATOM 0 H GLU A 72 -3.907 -23.705 24.727 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.885 -22.862 22.917 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.630 -21.373 24.336 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.911 -20.571 23.448 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.625 -21.636 24.903 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.378 -22.525 25.756 1.00 0.00 H new ATOM 1181 N LEU A 73 -2.754 -22.649 21.879 1.00 0.00 N ATOM 1182 CA LEU A 73 -1.933 -22.472 20.692 1.00 0.00 C ATOM 1183 C LEU A 73 -2.288 -23.546 19.664 1.00 0.00 C ATOM 1184 O LEU A 73 -2.404 -23.270 18.475 1.00 0.00 O ATOM 1185 CB LEU A 73 -0.443 -22.557 21.069 1.00 0.00 C ATOM 1186 CG LEU A 73 0.420 -21.705 20.114 1.00 0.00 C ATOM 1187 CD1 LEU A 73 0.170 -22.118 18.657 1.00 0.00 C ATOM 1188 CD2 LEU A 73 0.104 -20.201 20.303 1.00 0.00 C ATOM 0 H LEU A 73 -2.238 -22.896 22.724 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.124 -21.490 20.258 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.304 -22.214 22.094 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.114 -23.596 21.033 1.00 0.00 H new ATOM 0 HG LEU A 73 1.470 -21.875 20.350 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.785 -21.508 17.995 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.429 -23.169 18.527 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.882 -21.970 18.412 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.720 -19.612 19.623 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.949 -20.021 20.087 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.319 -19.911 21.331 1.00 0.00 H new ATOM 1200 N ARG A 74 -2.470 -24.774 20.147 1.00 0.00 N ATOM 1201 CA ARG A 74 -2.817 -25.891 19.277 1.00 0.00 C ATOM 1202 C ARG A 74 -4.173 -25.650 18.640 1.00 0.00 C ATOM 1203 O ARG A 74 -4.405 -26.007 17.486 1.00 0.00 O ATOM 1204 CB ARG A 74 -2.844 -27.191 20.079 1.00 0.00 C ATOM 1205 CG ARG A 74 -1.419 -27.560 20.491 1.00 0.00 C ATOM 1206 CD ARG A 74 -1.456 -28.793 21.392 1.00 0.00 C ATOM 1207 NE ARG A 74 -2.027 -29.923 20.672 1.00 0.00 N ATOM 1208 CZ ARG A 74 -2.282 -31.071 21.289 1.00 0.00 C ATOM 1209 NH1 ARG A 74 -2.023 -31.197 22.560 1.00 0.00 N ATOM 1210 NH2 ARG A 74 -2.792 -32.071 20.626 1.00 0.00 N ATOM 0 H ARG A 74 -2.383 -25.018 21.134 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.065 -25.974 18.493 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.471 -27.074 20.963 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.281 -27.991 19.482 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.813 -27.760 19.607 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.953 -26.726 21.016 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.448 -29.038 21.728 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.047 -28.584 22.284 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.234 -29.831 19.678 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.625 -30.415 23.079 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.218 -32.078 23.035 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.996 -31.973 19.631 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.987 -32.952 21.102 1.00 0.00 H new ATOM 1224 N THR A 75 -5.064 -25.033 19.399 1.00 0.00 N ATOM 1225 CA THR A 75 -6.392 -24.738 18.900 1.00 0.00 C ATOM 1226 C THR A 75 -6.301 -23.859 17.660 1.00 0.00 C ATOM 1227 O THR A 75 -7.011 -24.078 16.679 1.00 0.00 O ATOM 1228 CB THR A 75 -7.205 -24.040 19.972 1.00 0.00 C ATOM 1229 OG1 THR A 75 -7.336 -24.890 21.101 1.00 0.00 O ATOM 1230 CG2 THR A 75 -8.584 -23.703 19.420 1.00 0.00 C ATOM 0 H THR A 75 -4.891 -24.729 20.357 1.00 0.00 H new ATOM 0 HA THR A 75 -6.885 -25.673 18.634 1.00 0.00 H new ATOM 0 HB THR A 75 -6.700 -23.122 20.272 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.473 -24.958 21.561 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.171 -23.201 20.189 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.480 -23.046 18.556 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.090 -24.621 19.119 1.00 0.00 H new ATOM 1238 N GLN A 76 -5.417 -22.868 17.703 1.00 0.00 N ATOM 1239 CA GLN A 76 -5.243 -21.974 16.569 1.00 0.00 C ATOM 1240 C GLN A 76 -4.852 -22.773 15.327 1.00 0.00 C ATOM 1241 O GLN A 76 -5.407 -22.573 14.247 1.00 0.00 O ATOM 1242 CB GLN A 76 -4.152 -20.942 16.895 1.00 0.00 C ATOM 1243 CG GLN A 76 -4.389 -19.654 16.103 1.00 0.00 C ATOM 1244 CD GLN A 76 -4.389 -19.952 14.608 1.00 0.00 C ATOM 1245 OE1 GLN A 76 -3.461 -20.582 14.099 1.00 0.00 O ATOM 1246 NE2 GLN A 76 -5.380 -19.533 13.871 1.00 0.00 N ATOM 0 H GLN A 76 -4.817 -22.666 18.503 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.182 -21.457 16.371 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.153 -20.726 17.963 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.171 -21.351 16.654 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.341 -19.209 16.393 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.612 -18.926 16.337 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.147 -19.012 14.296 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.388 -19.727 12.870 1.00 0.00 H new ATOM 1255 N LEU A 77 -3.895 -23.683 15.493 1.00 0.00 N ATOM 1256 CA LEU A 77 -3.442 -24.510 14.381 1.00 0.00 C ATOM 1257 C LEU A 77 -4.580 -25.408 13.907 1.00 0.00 C ATOM 1258 O LEU A 77 -4.777 -25.602 12.707 1.00 0.00 O ATOM 1259 CB LEU A 77 -2.255 -25.375 14.818 1.00 0.00 C ATOM 1260 CG LEU A 77 -1.214 -24.511 15.542 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.050 -25.333 15.790 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.874 -23.271 14.705 1.00 0.00 C ATOM 0 H LEU A 77 -3.423 -23.864 16.379 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.129 -23.860 13.564 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.599 -26.173 15.476 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.803 -25.852 13.949 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.627 -24.184 16.496 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.789 -24.718 16.304 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.194 -26.199 16.406 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.458 -25.669 14.837 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.134 -22.668 15.232 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.469 -23.582 13.742 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.776 -22.681 14.546 1.00 0.00 H new ATOM 1274 N GLU A 78 -5.326 -25.949 14.863 1.00 0.00 N ATOM 1275 CA GLU A 78 -6.444 -26.824 14.541 1.00 0.00 C ATOM 1276 C GLU A 78 -7.540 -26.041 13.828 1.00 0.00 C ATOM 1277 O GLU A 78 -8.121 -26.515 12.852 1.00 0.00 O ATOM 1278 CB GLU A 78 -7.004 -27.440 15.824 1.00 0.00 C ATOM 1279 CG GLU A 78 -8.072 -28.475 15.471 1.00 0.00 C ATOM 1280 CD GLU A 78 -8.614 -29.122 16.742 1.00 0.00 C ATOM 1281 OE1 GLU A 78 -8.334 -28.606 17.811 1.00 0.00 O ATOM 1282 OE2 GLU A 78 -9.301 -30.124 16.626 1.00 0.00 O ATOM 0 H GLU A 78 -5.178 -25.798 15.861 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.091 -27.617 13.882 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.202 -27.909 16.394 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.432 -26.662 16.456 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.884 -27.999 14.921 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.649 -29.238 14.817 1.00 0.00 H new ATOM 1289 N LYS A 79 -7.812 -24.832 14.315 1.00 0.00 N ATOM 1290 CA LYS A 79 -8.832 -23.989 13.711 1.00 0.00 C ATOM 1291 C LYS A 79 -8.387 -23.535 12.330 1.00 0.00 C ATOM 1292 O LYS A 79 -9.149 -23.595 11.366 1.00 0.00 O ATOM 1293 CB LYS A 79 -9.087 -22.766 14.592 1.00 0.00 C ATOM 1294 CG LYS A 79 -10.245 -21.951 14.014 1.00 0.00 C ATOM 1295 CD LYS A 79 -10.560 -20.777 14.949 1.00 0.00 C ATOM 1296 CE LYS A 79 -9.367 -19.809 15.012 1.00 0.00 C ATOM 1297 NZ LYS A 79 -8.474 -20.202 16.140 1.00 0.00 N ATOM 0 H LYS A 79 -7.342 -24.420 15.121 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.752 -24.566 13.619 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.322 -23.080 15.609 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.188 -22.151 14.648 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.984 -21.580 13.023 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.125 -22.583 13.896 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.446 -20.250 14.596 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.788 -21.150 15.948 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.816 -19.831 14.072 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.720 -18.787 15.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.485 -20.197 15.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.587 -19.527 16.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.727 -21.157 16.466 1.00 0.00 H new ATOM 1311 N ALA A 80 -7.142 -23.081 12.245 1.00 0.00 N ATOM 1312 CA ALA A 80 -6.604 -22.619 10.978 1.00 0.00 C ATOM 1313 C ALA A 80 -6.508 -23.779 9.996 1.00 0.00 C ATOM 1314 O ALA A 80 -6.797 -23.629 8.809 1.00 0.00 O ATOM 1315 CB ALA A 80 -5.221 -22.000 11.181 1.00 0.00 C ATOM 0 H ALA A 80 -6.495 -23.024 13.031 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.275 -21.861 10.573 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.831 -21.658 10.222 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.298 -21.154 11.864 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.547 -22.746 11.602 1.00 0.00 H new ATOM 1321 N LEU A 81 -6.111 -24.939 10.507 1.00 0.00 N ATOM 1322 CA LEU A 81 -5.993 -26.130 9.676 1.00 0.00 C ATOM 1323 C LEU A 81 -7.357 -26.529 9.136 1.00 0.00 C ATOM 1324 O LEU A 81 -7.475 -26.983 7.998 1.00 0.00 O ATOM 1325 CB LEU A 81 -5.388 -27.288 10.481 1.00 0.00 C ATOM 1326 CG LEU A 81 -5.384 -28.578 9.641 1.00 0.00 C ATOM 1327 CD1 LEU A 81 -4.641 -28.351 8.317 1.00 0.00 C ATOM 1328 CD2 LEU A 81 -4.695 -29.695 10.436 1.00 0.00 C ATOM 0 H LEU A 81 -5.867 -25.079 11.487 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.332 -25.904 8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.370 -27.038 10.781 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.961 -27.443 11.395 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.412 -28.863 9.419 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.647 -29.272 7.734 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.137 -27.561 7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.611 -28.058 8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.689 -30.611 9.846 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.670 -29.402 10.661 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.236 -29.866 11.367 1.00 0.00 H new ATOM 1340 N GLY A 82 -8.385 -26.366 9.961 1.00 0.00 N ATOM 1341 CA GLY A 82 -9.734 -26.729 9.552 1.00 0.00 C ATOM 1342 C GLY A 82 -10.184 -25.874 8.373 1.00 0.00 C ATOM 1343 O GLY A 82 -10.975 -26.319 7.540 1.00 0.00 O ATOM 0 H GLY A 82 -8.311 -25.989 10.906 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.765 -27.783 9.277 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.421 -26.597 10.388 1.00 0.00 H new ATOM 1347 N LEU A 83 -9.663 -24.652 8.301 1.00 0.00 N ATOM 1348 CA LEU A 83 -10.003 -23.747 7.209 1.00 0.00 C ATOM 1349 C LEU A 83 -11.515 -23.567 7.108 1.00 0.00 C ATOM 1350 O LEU A 83 -12.085 -23.578 6.016 1.00 0.00 O ATOM 1351 CB LEU A 83 -9.454 -24.303 5.890 1.00 0.00 C ATOM 1352 CG LEU A 83 -7.915 -24.302 5.916 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -7.394 -25.124 4.733 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -7.371 -22.864 5.819 1.00 0.00 C ATOM 0 H LEU A 83 -9.008 -24.268 8.982 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.554 -22.774 7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.822 -25.317 5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.812 -23.700 5.055 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.577 -24.739 6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.304 -25.128 4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.761 -26.147 4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.745 -24.682 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.281 -22.885 5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.708 -22.410 4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.738 -22.278 6.662 1.00 0.00 H new ATOM 1366 N GLU A 84 -12.156 -23.390 8.256 1.00 0.00 N ATOM 1367 CA GLU A 84 -13.597 -23.195 8.292 1.00 0.00 C ATOM 1368 C GLU A 84 -13.968 -21.885 7.606 1.00 0.00 C ATOM 1369 O GLU A 84 -13.228 -20.903 7.683 1.00 0.00 O ATOM 1370 CB GLU A 84 -14.083 -23.177 9.743 1.00 0.00 C ATOM 1371 CG GLU A 84 -13.410 -22.028 10.500 1.00 0.00 C ATOM 1372 CD GLU A 84 -13.836 -22.053 11.964 1.00 0.00 C ATOM 1373 OE1 GLU A 84 -13.853 -23.130 12.538 1.00 0.00 O ATOM 1374 OE2 GLU A 84 -14.142 -20.995 12.491 1.00 0.00 O ATOM 0 H GLU A 84 -11.702 -23.378 9.170 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.077 -24.018 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.166 -23.059 9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.853 -24.127 10.225 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.326 -22.117 10.426 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.683 -21.074 10.049 1.00 0.00 H new ATOM 1381 N HIS A 85 -15.112 -21.875 6.934 1.00 0.00 N ATOM 1382 CA HIS A 85 -15.565 -20.678 6.238 1.00 0.00 C ATOM 1383 C HIS A 85 -14.455 -20.114 5.356 1.00 0.00 C ATOM 1384 O HIS A 85 -13.776 -19.157 5.730 1.00 0.00 O ATOM 1385 CB HIS A 85 -16.000 -19.620 7.252 1.00 0.00 C ATOM 1386 CG HIS A 85 -17.243 -20.083 7.957 1.00 0.00 C ATOM 1387 ND1 HIS A 85 -17.199 -20.787 9.150 1.00 0.00 N ATOM 1388 CD2 HIS A 85 -18.574 -19.952 7.649 1.00 0.00 C ATOM 1389 CE1 HIS A 85 -18.467 -21.050 9.514 1.00 0.00 C ATOM 1390 NE2 HIS A 85 -19.345 -20.564 8.633 1.00 0.00 N ATOM 0 H HIS A 85 -15.739 -22.676 6.856 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.411 -20.948 5.606 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -15.203 -19.444 7.975 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -16.187 -18.672 6.747 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -18.964 -19.450 6.776 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.741 -21.588 10.409 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -20.362 -20.628 8.673 1.00 0.00 H new ATOM 1398 N HIS A 86 -14.278 -20.715 4.182 1.00 0.00 N ATOM 1399 CA HIS A 86 -13.248 -20.270 3.249 1.00 0.00 C ATOM 1400 C HIS A 86 -13.592 -20.708 1.828 1.00 0.00 C ATOM 1401 O HIS A 86 -13.530 -21.893 1.502 1.00 0.00 O ATOM 1402 CB HIS A 86 -11.894 -20.858 3.649 1.00 0.00 C ATOM 1403 CG HIS A 86 -10.814 -20.273 2.781 1.00 0.00 C ATOM 1404 ND1 HIS A 86 -10.529 -20.772 1.520 1.00 0.00 N ATOM 1405 CD2 HIS A 86 -9.941 -19.233 2.979 1.00 0.00 C ATOM 1406 CE1 HIS A 86 -9.522 -20.040 1.011 1.00 0.00 C ATOM 1407 NE2 HIS A 86 -9.125 -19.087 1.860 1.00 0.00 N ATOM 0 H HIS A 86 -14.832 -21.507 3.856 1.00 0.00 H new ATOM 0 HA HIS A 86 -13.197 -19.182 3.283 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -11.688 -20.643 4.698 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -11.912 -21.943 3.544 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -9.894 -18.621 3.867 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -9.087 -20.202 0.036 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -8.384 -18.401 1.719 1.00 0.00 H new ATOM 1415 N HIS A 87 -13.958 -19.742 0.986 1.00 0.00 N ATOM 1416 CA HIS A 87 -14.312 -20.037 -0.402 1.00 0.00 C ATOM 1417 C HIS A 87 -14.109 -18.803 -1.281 1.00 0.00 C ATOM 1418 O HIS A 87 -14.235 -17.672 -0.814 1.00 0.00 O ATOM 1419 CB HIS A 87 -15.770 -20.492 -0.479 1.00 0.00 C ATOM 1420 CG HIS A 87 -16.645 -19.511 0.254 1.00 0.00 C ATOM 1421 ND1 HIS A 87 -17.025 -18.299 -0.300 1.00 0.00 N ATOM 1422 CD2 HIS A 87 -17.224 -19.553 1.497 1.00 0.00 C ATOM 1423 CE1 HIS A 87 -17.801 -17.667 0.600 1.00 0.00 C ATOM 1424 NE2 HIS A 87 -17.953 -18.388 1.714 1.00 0.00 N ATOM 0 H HIS A 87 -14.017 -18.755 1.238 1.00 0.00 H new ATOM 0 HA HIS A 87 -13.664 -20.834 -0.765 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -16.084 -20.567 -1.520 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -15.875 -21.485 -0.042 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -17.128 -20.367 2.200 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -18.246 -16.696 0.441 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -18.489 -18.138 2.545 1.00 0.00 H new ATOM 1432 N HIS A 88 -13.795 -19.029 -2.558 1.00 0.00 N ATOM 1433 CA HIS A 88 -13.575 -17.926 -3.495 1.00 0.00 C ATOM 1434 C HIS A 88 -14.014 -18.317 -4.906 1.00 0.00 C ATOM 1435 O HIS A 88 -13.960 -19.487 -5.283 1.00 0.00 O ATOM 1436 CB HIS A 88 -12.096 -17.536 -3.497 1.00 0.00 C ATOM 1437 CG HIS A 88 -11.701 -17.097 -2.114 1.00 0.00 C ATOM 1438 ND1 HIS A 88 -11.987 -15.829 -1.632 1.00 0.00 N ATOM 1439 CD2 HIS A 88 -11.052 -17.748 -1.094 1.00 0.00 C ATOM 1440 CE1 HIS A 88 -11.515 -15.757 -0.374 1.00 0.00 C ATOM 1441 NE2 HIS A 88 -10.936 -16.901 0.003 1.00 0.00 N ATOM 0 H HIS A 88 -13.688 -19.958 -2.965 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.173 -17.073 -3.174 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -11.485 -18.382 -3.812 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -11.920 -16.732 -4.211 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.687 -18.764 -1.137 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.594 -14.882 0.254 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -10.502 -17.108 0.902 1.00 0.00 H new ATOM 1449 N HIS A 89 -14.455 -17.327 -5.676 1.00 0.00 N ATOM 1450 CA HIS A 89 -14.914 -17.568 -7.040 1.00 0.00 C ATOM 1451 C HIS A 89 -13.738 -17.709 -8.006 1.00 0.00 C ATOM 1452 O HIS A 89 -13.069 -18.743 -8.032 1.00 0.00 O ATOM 1453 CB HIS A 89 -15.822 -16.417 -7.478 1.00 0.00 C ATOM 1454 CG HIS A 89 -17.088 -16.438 -6.659 1.00 0.00 C ATOM 1455 ND1 HIS A 89 -18.057 -15.453 -6.772 1.00 0.00 N ATOM 1456 CD2 HIS A 89 -17.558 -17.316 -5.710 1.00 0.00 C ATOM 1457 CE1 HIS A 89 -19.049 -15.758 -5.914 1.00 0.00 C ATOM 1458 NE2 HIS A 89 -18.794 -16.883 -5.242 1.00 0.00 N ATOM 0 H HIS A 89 -14.504 -16.352 -5.380 1.00 0.00 H new ATOM 0 HA HIS A 89 -15.471 -18.505 -7.059 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -15.308 -15.464 -7.349 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -16.060 -16.510 -8.538 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -17.045 -18.207 -5.379 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -19.942 -15.165 -5.785 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -19.380 -17.329 -4.537 1.00 0.00 H new ATOM 1466 N HIS A 90 -13.490 -16.673 -8.805 1.00 0.00 N ATOM 1467 CA HIS A 90 -12.393 -16.715 -9.770 1.00 0.00 C ATOM 1468 C HIS A 90 -11.053 -16.484 -9.077 1.00 0.00 C ATOM 1469 O HIS A 90 -10.872 -15.412 -8.523 1.00 0.00 O ATOM 1470 CB HIS A 90 -12.597 -15.649 -10.852 1.00 0.00 C ATOM 1471 CG HIS A 90 -13.902 -15.894 -11.557 1.00 0.00 C ATOM 1472 ND1 HIS A 90 -14.088 -16.964 -12.420 1.00 0.00 N ATOM 1473 CD2 HIS A 90 -15.096 -15.217 -11.537 1.00 0.00 C ATOM 1474 CE1 HIS A 90 -15.352 -16.900 -12.879 1.00 0.00 C ATOM 1475 NE2 HIS A 90 -16.010 -15.854 -12.371 1.00 0.00 N ATOM 1476 OXT HIS A 90 -10.228 -17.381 -9.114 1.00 0.00 O ATOM 0 H HIS A 90 -14.026 -15.805 -8.805 1.00 0.00 H new ATOM 0 HA HIS A 90 -12.387 -17.703 -10.231 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -12.594 -14.655 -10.404 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -11.774 -15.679 -11.566 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -15.296 -14.325 -10.961 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.781 -17.607 -13.573 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -16.975 -15.581 -12.555 1.00 0.00 H new TER 1484 HIS A 90