USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 873 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 89 HIS : no HD1:sc= -2.54 K(o=-5,f=-8.2!) USER MOD Set 1.2: A 91 MET CE :methyl -144:sc= -2.49 (180deg=-0.0928) USER MOD Set 2.1: A 37 THR OG1 : rot 172:sc= 1.23 USER MOD Set 2.2: A 40 LYS NZ :NH3+ -116:sc= 0.836 (180deg=-0.106) USER MOD Set 3.1: A 38 CYS SG : rot 74:sc= -0.0929 USER MOD Set 3.2: A 79 CYS SG : rot 9:sc= 0.116 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0967 X(o=-0.097,f=-0.19) USER MOD Single : A 9 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-2.5!) USER MOD Single : A 10 ASN : amide:sc= -0.0659 X(o=-0.066,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.0164 K(o=-0.016,f=-1.1) USER MOD Single : A 16 GLN : amide:sc= -0.0209 X(o=-0.021,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.0476 X(o=-0.048,f=-0.088) USER MOD Single : A 39 MET CE :methyl -164:sc=-0.00554 (180deg=-0.144) USER MOD Single : A 41 MET CE :methyl -131:sc= -2.2 (180deg=-5.27!) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.0156 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 136:sc= -1.1 (180deg=-2.89!) USER MOD Single : A 54 ASN : amide:sc= -0.931 K(o=-0.93,f=-8.1!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -27:sc= 0.725 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -3.64! C(o=-3.6!,f=-4.6!) USER MOD Single : A 88 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0469) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.65 K(o=-1.7,f=-5.7!) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 165:sc= -0.0163 (180deg=-0.21) USER MOD Single : A 110 GLN : amide:sc= -0.0657 X(o=-0.066,f=-0.066) USER MOD Single : A 112 MET CE :methyl -122:sc= -3.22! (180deg=-3.75!) USER MOD Single : A 118 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N MET A 4 -6.747 9.329 -11.411 1.00 0.00 N ATOM 36 CA MET A 4 -7.386 8.084 -11.003 1.00 0.00 C ATOM 37 C MET A 4 -6.906 7.653 -9.622 1.00 0.00 C ATOM 38 O MET A 4 -7.712 7.404 -8.724 1.00 0.00 O ATOM 39 CB MET A 4 -7.099 6.981 -12.023 1.00 0.00 C ATOM 40 CG MET A 4 -8.111 5.847 -11.994 1.00 0.00 C ATOM 41 SD MET A 4 -7.827 4.698 -10.635 1.00 0.00 S ATOM 42 CE MET A 4 -9.500 4.447 -10.049 1.00 0.00 C ATOM 0 HA MET A 4 -8.461 8.255 -10.956 1.00 0.00 H new ATOM 0 HB2 MET A 4 -7.083 7.417 -13.022 1.00 0.00 H new ATOM 0 HB3 MET A 4 -6.105 6.575 -11.836 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.115 6.263 -11.909 1.00 0.00 H new ATOM 0 HG3 MET A 4 -8.070 5.304 -12.938 1.00 0.00 H new ATOM 0 HE1 MET A 4 -9.490 3.757 -9.206 1.00 0.00 H new ATOM 0 HE2 MET A 4 -9.922 5.401 -9.732 1.00 0.00 H new ATOM 0 HE3 MET A 4 -10.108 4.030 -10.852 1.00 0.00 H new ATOM 52 N LEU A 5 -5.589 7.563 -9.458 1.00 0.00 N ATOM 53 CA LEU A 5 -4.995 7.159 -8.190 1.00 0.00 C ATOM 54 C LEU A 5 -5.579 7.963 -7.026 1.00 0.00 C ATOM 55 O LEU A 5 -5.263 9.140 -6.857 1.00 0.00 O ATOM 56 CB LEU A 5 -3.477 7.343 -8.237 1.00 0.00 C ATOM 57 CG LEU A 5 -2.672 6.266 -7.508 1.00 0.00 C ATOM 58 CD1 LEU A 5 -2.861 4.913 -8.177 1.00 0.00 C ATOM 59 CD2 LEU A 5 -1.198 6.641 -7.465 1.00 0.00 C ATOM 0 H LEU A 5 -4.911 7.766 -10.192 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.227 6.106 -8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.161 7.368 -9.280 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.230 8.313 -7.806 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.039 6.196 -6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.281 4.160 -7.644 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.916 4.641 -8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.522 4.968 -9.211 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.640 5.864 -6.943 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.818 6.740 -8.482 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.079 7.589 -6.940 1.00 0.00 H new ATOM 71 N PRO A 6 -6.443 7.336 -6.204 1.00 0.00 N ATOM 72 CA PRO A 6 -7.064 8.006 -5.059 1.00 0.00 C ATOM 73 C PRO A 6 -6.105 8.159 -3.883 1.00 0.00 C ATOM 74 O PRO A 6 -5.482 7.191 -3.447 1.00 0.00 O ATOM 75 CB PRO A 6 -8.212 7.068 -4.691 1.00 0.00 C ATOM 76 CG PRO A 6 -7.739 5.718 -5.107 1.00 0.00 C ATOM 77 CD PRO A 6 -6.881 5.931 -6.327 1.00 0.00 C ATOM 0 HA PRO A 6 -7.379 9.021 -5.300 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.425 7.102 -3.623 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.131 7.343 -5.208 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.169 5.242 -4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.581 5.063 -5.332 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.033 5.247 -6.345 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.443 5.765 -7.246 1.00 0.00 H new ATOM 85 N HIS A 7 -5.992 9.380 -3.373 1.00 0.00 N ATOM 86 CA HIS A 7 -5.110 9.660 -2.245 1.00 0.00 C ATOM 87 C HIS A 7 -5.915 9.974 -0.989 1.00 0.00 C ATOM 88 O HIS A 7 -7.127 10.180 -1.053 1.00 0.00 O ATOM 89 CB HIS A 7 -4.180 10.829 -2.575 1.00 0.00 C ATOM 90 CG HIS A 7 -4.887 12.004 -3.176 1.00 0.00 C ATOM 91 ND1 HIS A 7 -5.029 12.183 -4.537 1.00 0.00 N ATOM 92 CD2 HIS A 7 -5.498 13.064 -2.593 1.00 0.00 C ATOM 93 CE1 HIS A 7 -5.693 13.302 -4.764 1.00 0.00 C ATOM 94 NE2 HIS A 7 -5.990 13.855 -3.603 1.00 0.00 N ATOM 0 H HIS A 7 -6.500 10.192 -3.723 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.510 8.770 -2.056 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.673 11.147 -1.664 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.410 10.486 -3.266 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -5.582 13.252 -1.533 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -5.950 13.698 -5.736 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -6.502 14.728 -3.476 1.00 0.00 H new ATOM 103 N LEU A 8 -5.234 10.009 0.152 1.00 0.00 N ATOM 104 CA LEU A 8 -5.887 10.299 1.424 1.00 0.00 C ATOM 105 C LEU A 8 -5.410 11.636 1.985 1.00 0.00 C ATOM 106 O LEU A 8 -4.695 12.381 1.315 1.00 0.00 O ATOM 107 CB LEU A 8 -5.613 9.177 2.429 1.00 0.00 C ATOM 108 CG LEU A 8 -6.815 8.286 2.747 1.00 0.00 C ATOM 109 CD1 LEU A 8 -7.974 9.118 3.273 1.00 0.00 C ATOM 110 CD2 LEU A 8 -7.236 7.501 1.514 1.00 0.00 C ATOM 0 H LEU A 8 -4.230 9.840 0.222 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.961 10.363 1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.809 8.552 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.253 9.621 3.357 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.523 7.578 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.819 8.466 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.668 9.635 4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.267 9.850 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.092 6.872 1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.509 8.193 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.409 6.874 1.182 1.00 0.00 H new ATOM 122 N HIS A 9 -5.810 11.931 3.218 1.00 0.00 N ATOM 123 CA HIS A 9 -5.422 13.179 3.867 1.00 0.00 C ATOM 124 C HIS A 9 -5.945 13.234 5.299 1.00 0.00 C ATOM 125 O HIS A 9 -5.253 13.700 6.205 1.00 0.00 O ATOM 126 CB HIS A 9 -5.948 14.376 3.074 1.00 0.00 C ATOM 127 CG HIS A 9 -5.458 15.695 3.587 1.00 0.00 C ATOM 128 ND1 HIS A 9 -5.953 16.905 3.147 1.00 0.00 N ATOM 129 CD2 HIS A 9 -4.511 15.991 4.509 1.00 0.00 C ATOM 130 CE1 HIS A 9 -5.332 17.887 3.776 1.00 0.00 C ATOM 131 NE2 HIS A 9 -4.453 17.359 4.607 1.00 0.00 N ATOM 0 H HIS A 9 -6.401 11.325 3.787 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.333 13.221 3.895 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.652 14.269 2.030 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.038 14.368 3.099 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.913 15.283 5.064 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -5.513 18.942 3.634 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.831 17.883 5.223 1.00 0.00 H new ATOM 140 N ASN A 10 -7.169 12.757 5.497 1.00 0.00 N ATOM 141 CA ASN A 10 -7.783 12.754 6.819 1.00 0.00 C ATOM 142 C ASN A 10 -7.602 11.402 7.501 1.00 0.00 C ATOM 143 O ASN A 10 -7.750 10.354 6.873 1.00 0.00 O ATOM 144 CB ASN A 10 -9.273 13.089 6.713 1.00 0.00 C ATOM 145 CG ASN A 10 -9.541 14.575 6.839 1.00 0.00 C ATOM 146 OD1 ASN A 10 -10.036 15.210 5.908 1.00 0.00 O ATOM 147 ND2 ASN A 10 -9.216 15.140 7.997 1.00 0.00 N ATOM 0 H ASN A 10 -7.755 12.368 4.759 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.288 13.514 7.423 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.655 12.733 5.756 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.819 12.557 7.492 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.375 16.137 8.140 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.808 14.576 8.743 1.00 0.00 H new ATOM 154 N GLY A 11 -7.280 11.435 8.790 1.00 0.00 N ATOM 155 CA GLY A 11 -7.083 10.206 9.535 1.00 0.00 C ATOM 156 C GLY A 11 -8.365 9.412 9.694 1.00 0.00 C ATOM 157 O GLY A 11 -8.334 8.188 9.815 1.00 0.00 O ATOM 0 H GLY A 11 -7.152 12.290 9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.340 9.592 9.027 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.681 10.442 10.520 1.00 0.00 H new ATOM 161 N TRP A 12 -9.495 10.111 9.693 1.00 0.00 N ATOM 162 CA TRP A 12 -10.795 9.464 9.837 1.00 0.00 C ATOM 163 C TRP A 12 -11.068 8.528 8.665 1.00 0.00 C ATOM 164 O TRP A 12 -11.685 7.475 8.829 1.00 0.00 O ATOM 165 CB TRP A 12 -11.903 10.513 9.935 1.00 0.00 C ATOM 166 CG TRP A 12 -13.172 9.984 10.530 1.00 0.00 C ATOM 167 CD1 TRP A 12 -13.287 9.128 11.587 1.00 0.00 C ATOM 168 CD2 TRP A 12 -14.507 10.274 10.101 1.00 0.00 C ATOM 169 NE1 TRP A 12 -14.611 8.869 11.843 1.00 0.00 N ATOM 170 CE2 TRP A 12 -15.380 9.561 10.943 1.00 0.00 C ATOM 171 CE3 TRP A 12 -15.049 11.069 9.087 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -16.765 9.618 10.802 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -16.423 11.125 8.948 1.00 0.00 C ATOM 174 CH2 TRP A 12 -17.268 10.404 9.801 1.00 0.00 C ATOM 0 H TRP A 12 -9.537 11.125 9.594 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.780 8.875 10.754 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -11.549 11.349 10.538 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -12.112 10.904 8.939 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -12.457 8.715 12.141 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -14.965 8.261 12.582 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -14.406 11.629 8.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -17.418 9.062 11.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -16.853 11.736 8.168 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -18.338 10.470 9.666 1.00 0.00 H new ATOM 185 N GLN A 13 -10.604 8.917 7.482 1.00 0.00 N ATOM 186 CA GLN A 13 -10.798 8.113 6.282 1.00 0.00 C ATOM 187 C GLN A 13 -9.714 7.046 6.162 1.00 0.00 C ATOM 188 O GLN A 13 -9.955 5.959 5.636 1.00 0.00 O ATOM 189 CB GLN A 13 -10.792 9.003 5.038 1.00 0.00 C ATOM 190 CG GLN A 13 -12.052 9.840 4.884 1.00 0.00 C ATOM 191 CD GLN A 13 -11.836 11.063 4.013 1.00 0.00 C ATOM 192 OE1 GLN A 13 -10.829 11.171 3.313 1.00 0.00 O ATOM 193 NE2 GLN A 13 -12.783 11.992 4.053 1.00 0.00 N ATOM 0 H GLN A 13 -10.091 9.785 7.329 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.766 7.617 6.360 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.928 9.666 5.080 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.671 8.377 4.154 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.842 9.225 4.452 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.397 10.156 5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.601 11.861 4.648 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.693 12.837 3.489 1.00 0.00 H new ATOM 202 N VAL A 14 -8.521 7.364 6.654 1.00 0.00 N ATOM 203 CA VAL A 14 -7.401 6.433 6.602 1.00 0.00 C ATOM 204 C VAL A 14 -7.551 5.337 7.652 1.00 0.00 C ATOM 205 O VAL A 14 -7.161 4.190 7.428 1.00 0.00 O ATOM 206 CB VAL A 14 -6.058 7.157 6.820 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.893 6.201 6.605 1.00 0.00 C ATOM 208 CG2 VAL A 14 -5.943 8.362 5.900 1.00 0.00 C ATOM 0 H VAL A 14 -8.306 8.259 7.093 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.406 5.985 5.608 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.023 7.511 7.850 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.954 6.731 6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.966 5.373 7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.924 5.813 5.587 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.988 8.859 6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.002 8.034 4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.756 9.057 6.108 1.00 0.00 H new ATOM 218 N ASP A 15 -8.119 5.697 8.799 1.00 0.00 N ATOM 219 CA ASP A 15 -8.322 4.745 9.885 1.00 0.00 C ATOM 220 C ASP A 15 -9.566 3.894 9.641 1.00 0.00 C ATOM 221 O ASP A 15 -9.653 2.759 10.110 1.00 0.00 O ATOM 222 CB ASP A 15 -8.449 5.482 11.219 1.00 0.00 C ATOM 223 CG ASP A 15 -7.101 5.771 11.850 1.00 0.00 C ATOM 224 OD1 ASP A 15 -6.282 4.834 11.956 1.00 0.00 O ATOM 225 OD2 ASP A 15 -6.865 6.934 12.238 1.00 0.00 O ATOM 0 H ASP A 15 -8.447 6.642 9.000 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.455 4.085 9.922 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.983 6.419 11.064 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.048 4.884 11.906 1.00 0.00 H new ATOM 230 N GLN A 16 -10.524 4.448 8.906 1.00 0.00 N ATOM 231 CA GLN A 16 -11.761 3.738 8.603 1.00 0.00 C ATOM 232 C GLN A 16 -11.584 2.827 7.393 1.00 0.00 C ATOM 233 O GLN A 16 -12.201 1.766 7.307 1.00 0.00 O ATOM 234 CB GLN A 16 -12.895 4.733 8.345 1.00 0.00 C ATOM 235 CG GLN A 16 -13.596 5.197 9.611 1.00 0.00 C ATOM 236 CD GLN A 16 -14.909 5.900 9.325 1.00 0.00 C ATOM 237 OE1 GLN A 16 -15.938 5.584 9.921 1.00 0.00 O ATOM 238 NE2 GLN A 16 -14.879 6.860 8.408 1.00 0.00 N ATOM 0 H GLN A 16 -10.468 5.386 8.509 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.016 3.121 9.465 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -12.494 5.601 7.823 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.627 4.273 7.682 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.781 4.338 10.256 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.939 5.872 10.160 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.003 7.089 7.938 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.732 7.368 8.173 1.00 0.00 H new ATOM 247 N ALA A 17 -10.737 3.249 6.459 1.00 0.00 N ATOM 248 CA ALA A 17 -10.479 2.471 5.254 1.00 0.00 C ATOM 249 C ALA A 17 -9.638 1.238 5.564 1.00 0.00 C ATOM 250 O ALA A 17 -9.899 0.150 5.049 1.00 0.00 O ATOM 251 CB ALA A 17 -9.789 3.333 4.208 1.00 0.00 C ATOM 0 H ALA A 17 -10.218 4.125 6.514 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.437 2.134 4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.602 2.739 3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.428 4.179 3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.842 3.699 4.605 1.00 0.00 H new ATOM 257 N ILE A 18 -8.626 1.414 6.408 1.00 0.00 N ATOM 258 CA ILE A 18 -7.745 0.316 6.787 1.00 0.00 C ATOM 259 C ILE A 18 -8.530 -0.820 7.438 1.00 0.00 C ATOM 260 O ILE A 18 -8.324 -1.992 7.121 1.00 0.00 O ATOM 261 CB ILE A 18 -6.641 0.789 7.753 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.687 -0.363 8.083 1.00 0.00 C ATOM 263 CG2 ILE A 18 -7.255 1.358 9.024 1.00 0.00 C ATOM 264 CD1 ILE A 18 -4.576 0.025 9.034 1.00 0.00 C ATOM 0 H ILE A 18 -8.396 2.308 6.843 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.280 -0.049 5.871 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.069 1.578 7.265 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.258 -1.183 8.519 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.248 -0.737 7.158 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.462 1.687 9.695 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.893 2.205 8.772 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.851 0.589 9.516 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.940 -0.840 9.222 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.981 0.824 8.592 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.006 0.371 9.974 1.00 0.00 H new ATOM 276 N LEU A 19 -9.428 -0.466 8.350 1.00 0.00 N ATOM 277 CA LEU A 19 -10.241 -1.456 9.047 1.00 0.00 C ATOM 278 C LEU A 19 -11.462 -1.840 8.218 1.00 0.00 C ATOM 279 O LEU A 19 -11.771 -3.022 8.062 1.00 0.00 O ATOM 280 CB LEU A 19 -10.683 -0.916 10.409 1.00 0.00 C ATOM 281 CG LEU A 19 -11.513 -1.886 11.251 1.00 0.00 C ATOM 282 CD1 LEU A 19 -11.339 -1.589 12.732 1.00 0.00 C ATOM 283 CD2 LEU A 19 -12.981 -1.810 10.859 1.00 0.00 C ATOM 0 H LEU A 19 -9.612 0.499 8.624 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.633 -2.348 9.197 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.796 -0.634 10.976 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.263 -0.007 10.252 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.159 -2.899 11.060 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.937 -2.289 13.316 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.289 -1.695 13.003 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.667 -0.570 12.940 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.557 -2.507 11.468 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.349 -0.797 11.021 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.091 -2.072 9.807 1.00 0.00 H new ATOM 295 N SER A 20 -12.153 -0.836 7.690 1.00 0.00 N ATOM 296 CA SER A 20 -13.342 -1.070 6.879 1.00 0.00 C ATOM 297 C SER A 20 -12.977 -1.214 5.404 1.00 0.00 C ATOM 298 O SER A 20 -13.452 -0.457 4.558 1.00 0.00 O ATOM 299 CB SER A 20 -14.343 0.073 7.062 1.00 0.00 C ATOM 300 OG SER A 20 -15.667 -0.362 6.806 1.00 0.00 O ATOM 0 H SER A 20 -11.910 0.148 7.809 1.00 0.00 H new ATOM 0 HA SER A 20 -13.801 -2.001 7.212 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.275 0.461 8.078 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.090 0.893 6.390 1.00 0.00 H new ATOM 0 HG SER A 20 -16.287 0.386 6.931 1.00 0.00 H new ATOM 306 N GLU A 21 -12.129 -2.194 5.102 1.00 0.00 N ATOM 307 CA GLU A 21 -11.700 -2.439 3.728 1.00 0.00 C ATOM 308 C GLU A 21 -12.902 -2.634 2.807 1.00 0.00 C ATOM 309 O GLU A 21 -12.937 -2.106 1.697 1.00 0.00 O ATOM 310 CB GLU A 21 -10.789 -3.666 3.666 1.00 0.00 C ATOM 311 CG GLU A 21 -11.299 -4.847 4.477 1.00 0.00 C ATOM 312 CD GLU A 21 -11.663 -6.038 3.611 1.00 0.00 C ATOM 313 OE1 GLU A 21 -10.752 -6.816 3.259 1.00 0.00 O ATOM 314 OE2 GLU A 21 -12.859 -6.191 3.286 1.00 0.00 O ATOM 0 H GLU A 21 -11.726 -2.831 5.789 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.144 -1.566 3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.677 -3.972 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.798 -3.390 4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.536 -5.145 5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.174 -4.539 5.050 1.00 0.00 H new ATOM 321 N GLU A 22 -13.884 -3.397 3.279 1.00 0.00 N ATOM 322 CA GLU A 22 -15.090 -3.662 2.499 1.00 0.00 C ATOM 323 C GLU A 22 -14.742 -4.191 1.110 1.00 0.00 C ATOM 324 O GLU A 22 -15.482 -3.976 0.150 1.00 0.00 O ATOM 325 CB GLU A 22 -15.933 -2.392 2.377 1.00 0.00 C ATOM 326 CG GLU A 22 -17.430 -2.653 2.364 1.00 0.00 C ATOM 327 CD GLU A 22 -18.240 -1.421 2.716 1.00 0.00 C ATOM 328 OE1 GLU A 22 -17.830 -0.685 3.637 1.00 0.00 O ATOM 329 OE2 GLU A 22 -19.284 -1.192 2.068 1.00 0.00 O ATOM 0 H GLU A 22 -13.869 -3.842 4.197 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.666 -4.425 3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -15.696 -1.728 3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.656 -1.869 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.725 -3.007 1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.662 -3.450 3.070 1.00 0.00 H new ATOM 336 N ASP A 23 -13.611 -4.881 1.011 1.00 0.00 N ATOM 337 CA ASP A 23 -13.165 -5.437 -0.260 1.00 0.00 C ATOM 338 C ASP A 23 -12.395 -6.733 -0.047 1.00 0.00 C ATOM 339 O ASP A 23 -12.907 -7.825 -0.296 1.00 0.00 O ATOM 340 CB ASP A 23 -12.292 -4.427 -1.005 1.00 0.00 C ATOM 341 CG ASP A 23 -13.080 -3.222 -1.481 1.00 0.00 C ATOM 342 OD1 ASP A 23 -14.074 -3.415 -2.211 1.00 0.00 O ATOM 343 OD2 ASP A 23 -12.702 -2.086 -1.124 1.00 0.00 O ATOM 0 H ASP A 23 -12.987 -5.068 1.796 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.048 -5.656 -0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.486 -4.095 -0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.827 -4.915 -1.861 1.00 0.00 H new ATOM 348 N ARG A 24 -11.159 -6.603 0.415 1.00 0.00 N ATOM 349 CA ARG A 24 -10.307 -7.759 0.665 1.00 0.00 C ATOM 350 C ARG A 24 -8.961 -7.331 1.239 1.00 0.00 C ATOM 351 O ARG A 24 -8.412 -7.990 2.121 1.00 0.00 O ATOM 352 CB ARG A 24 -10.093 -8.551 -0.626 1.00 0.00 C ATOM 353 CG ARG A 24 -9.835 -10.032 -0.397 1.00 0.00 C ATOM 354 CD ARG A 24 -9.308 -10.706 -1.654 1.00 0.00 C ATOM 355 NE ARG A 24 -9.997 -11.965 -1.930 1.00 0.00 N ATOM 356 CZ ARG A 24 -11.273 -12.046 -2.299 1.00 0.00 C ATOM 357 NH1 ARG A 24 -12.002 -10.946 -2.438 1.00 0.00 N ATOM 358 NH2 ARG A 24 -11.822 -13.231 -2.529 1.00 0.00 N ATOM 0 H ARG A 24 -10.722 -5.706 0.625 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.808 -8.394 1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.971 -8.438 -1.261 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.250 -8.124 -1.169 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.116 -10.156 0.413 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.758 -10.519 -0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.428 -10.033 -2.503 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.240 -10.894 -1.544 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.469 -12.832 -1.834 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.585 -10.032 -2.262 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.980 -11.014 -2.721 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.266 -14.080 -2.423 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.800 -13.294 -2.812 1.00 0.00 H new ATOM 372 N VAL A 25 -8.436 -6.224 0.730 1.00 0.00 N ATOM 373 CA VAL A 25 -7.152 -5.702 1.187 1.00 0.00 C ATOM 374 C VAL A 25 -7.073 -4.195 0.974 1.00 0.00 C ATOM 375 O VAL A 25 -8.066 -3.555 0.626 1.00 0.00 O ATOM 376 CB VAL A 25 -5.963 -6.379 0.465 1.00 0.00 C ATOM 377 CG1 VAL A 25 -4.873 -6.746 1.461 1.00 0.00 C ATOM 378 CG2 VAL A 25 -6.415 -7.609 -0.310 1.00 0.00 C ATOM 0 H VAL A 25 -8.880 -5.668 -0.001 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.083 -5.926 2.252 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.555 -5.665 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.045 -7.221 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.517 -5.844 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.275 -7.436 2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.557 -8.062 -0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.859 -8.329 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.153 -7.317 -1.057 1.00 0.00 H new ATOM 388 N VAL A 26 -5.887 -3.632 1.175 1.00 0.00 N ATOM 389 CA VAL A 26 -5.680 -2.212 0.999 1.00 0.00 C ATOM 390 C VAL A 26 -4.195 -1.868 0.939 1.00 0.00 C ATOM 391 O VAL A 26 -3.386 -2.435 1.671 1.00 0.00 O ATOM 392 CB VAL A 26 -6.356 -1.399 2.123 1.00 0.00 C ATOM 393 CG1 VAL A 26 -5.754 -1.742 3.477 1.00 0.00 C ATOM 394 CG2 VAL A 26 -6.255 0.094 1.847 1.00 0.00 C ATOM 0 H VAL A 26 -5.054 -4.146 1.461 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.140 -1.942 0.048 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.412 -1.667 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.247 -1.156 4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.895 -2.804 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.689 -1.512 3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.738 0.646 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.206 0.383 1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.748 0.324 0.903 1.00 0.00 H new ATOM 404 N VAL A 27 -3.842 -0.937 0.057 1.00 0.00 N ATOM 405 CA VAL A 27 -2.455 -0.519 -0.098 1.00 0.00 C ATOM 406 C VAL A 27 -2.280 0.945 0.295 1.00 0.00 C ATOM 407 O VAL A 27 -3.119 1.788 -0.022 1.00 0.00 O ATOM 408 CB VAL A 27 -1.970 -0.720 -1.548 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.538 -0.234 -1.713 1.00 0.00 C ATOM 410 CG2 VAL A 27 -2.093 -2.183 -1.950 1.00 0.00 C ATOM 0 H VAL A 27 -4.498 -0.459 -0.560 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.854 -1.142 0.564 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.604 -0.127 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.219 -0.386 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.483 0.827 -1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.116 -0.794 -1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.747 -2.309 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.485 -2.796 -1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.135 -2.494 -1.878 1.00 0.00 H new ATOM 420 N ILE A 28 -1.186 1.238 0.989 1.00 0.00 N ATOM 421 CA ILE A 28 -0.901 2.600 1.426 1.00 0.00 C ATOM 422 C ILE A 28 0.541 2.984 1.117 1.00 0.00 C ATOM 423 O ILE A 28 1.479 2.300 1.526 1.00 0.00 O ATOM 424 CB ILE A 28 -1.152 2.769 2.938 1.00 0.00 C ATOM 425 CG1 ILE A 28 -2.522 2.205 3.315 1.00 0.00 C ATOM 426 CG2 ILE A 28 -1.048 4.234 3.332 1.00 0.00 C ATOM 427 CD1 ILE A 28 -3.677 2.943 2.674 1.00 0.00 C ATOM 0 H ILE A 28 -0.482 0.551 1.261 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.576 3.257 0.877 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.389 2.213 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.566 1.155 3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.635 2.241 4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.228 4.337 4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.051 4.605 3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.791 4.812 2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.617 2.488 2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.658 3.988 2.984 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.589 2.885 1.589 1.00 0.00 H new ATOM 439 N ARG A 29 0.711 4.084 0.390 1.00 0.00 N ATOM 440 CA ARG A 29 2.039 4.561 0.025 1.00 0.00 C ATOM 441 C ARG A 29 2.386 5.840 0.780 1.00 0.00 C ATOM 442 O ARG A 29 1.598 6.786 0.813 1.00 0.00 O ATOM 443 CB ARG A 29 2.118 4.805 -1.485 1.00 0.00 C ATOM 444 CG ARG A 29 3.287 4.100 -2.156 1.00 0.00 C ATOM 445 CD ARG A 29 3.525 4.627 -3.561 1.00 0.00 C ATOM 446 NE ARG A 29 4.719 5.466 -3.635 1.00 0.00 N ATOM 447 CZ ARG A 29 5.955 5.016 -3.430 1.00 0.00 C ATOM 448 NH1 ARG A 29 6.163 3.738 -3.136 1.00 0.00 N ATOM 449 NH2 ARG A 29 6.986 5.845 -3.517 1.00 0.00 N ATOM 0 H ARG A 29 -0.055 4.661 0.042 1.00 0.00 H new ATOM 0 HA ARG A 29 2.762 3.793 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.189 4.471 -1.948 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.198 5.877 -1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.188 4.237 -1.558 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.092 3.028 -2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.627 3.789 -4.250 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.657 5.202 -3.885 1.00 0.00 H new ATOM 0 HE ARG A 29 4.598 6.454 -3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.374 3.096 -3.066 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.112 3.399 -2.980 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.832 6.828 -3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.933 5.500 -3.360 1.00 0.00 H new ATOM 463 N PHE A 30 3.570 5.863 1.384 1.00 0.00 N ATOM 464 CA PHE A 30 4.020 7.027 2.138 1.00 0.00 C ATOM 465 C PHE A 30 5.006 7.856 1.321 1.00 0.00 C ATOM 466 O PHE A 30 5.980 7.327 0.784 1.00 0.00 O ATOM 467 CB PHE A 30 4.670 6.589 3.452 1.00 0.00 C ATOM 468 CG PHE A 30 3.691 6.419 4.579 1.00 0.00 C ATOM 469 CD1 PHE A 30 3.342 7.497 5.377 1.00 0.00 C ATOM 470 CD2 PHE A 30 3.121 5.183 4.839 1.00 0.00 C ATOM 471 CE1 PHE A 30 2.441 7.345 6.414 1.00 0.00 C ATOM 472 CE2 PHE A 30 2.220 5.026 5.875 1.00 0.00 C ATOM 473 CZ PHE A 30 1.879 6.107 6.664 1.00 0.00 C ATOM 0 H PHE A 30 4.234 5.089 1.366 1.00 0.00 H new ATOM 0 HA PHE A 30 3.150 7.645 2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.195 5.647 3.292 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.419 7.326 3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.779 8.466 5.187 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.384 4.334 4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.176 8.193 7.029 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.782 4.058 6.068 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.175 5.985 7.474 1.00 0.00 H new ATOM 483 N GLY A 31 4.748 9.156 1.231 1.00 0.00 N ATOM 484 CA GLY A 31 5.623 10.035 0.478 1.00 0.00 C ATOM 485 C GLY A 31 4.907 11.274 -0.026 1.00 0.00 C ATOM 486 O GLY A 31 3.867 11.658 0.508 1.00 0.00 O ATOM 0 H GLY A 31 3.949 9.617 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.461 10.334 1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.039 9.490 -0.369 1.00 0.00 H new ATOM 490 N HIS A 32 5.467 11.900 -1.056 1.00 0.00 N ATOM 491 CA HIS A 32 4.878 13.103 -1.632 1.00 0.00 C ATOM 492 C HIS A 32 4.287 12.813 -3.009 1.00 0.00 C ATOM 493 O HIS A 32 4.654 11.835 -3.659 1.00 0.00 O ATOM 494 CB HIS A 32 5.928 14.210 -1.738 1.00 0.00 C ATOM 495 CG HIS A 32 5.346 15.590 -1.719 1.00 0.00 C ATOM 496 ND1 HIS A 32 4.646 16.097 -0.645 1.00 0.00 N ATOM 497 CD2 HIS A 32 5.365 16.572 -2.652 1.00 0.00 C ATOM 498 CE1 HIS A 32 4.257 17.331 -0.919 1.00 0.00 C ATOM 499 NE2 HIS A 32 4.681 17.642 -2.129 1.00 0.00 N ATOM 0 H HIS A 32 6.328 11.594 -1.509 1.00 0.00 H new ATOM 0 HA HIS A 32 4.075 13.436 -0.974 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.634 14.111 -0.913 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.494 14.076 -2.660 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.831 16.523 -3.625 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.689 17.975 -0.264 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.526 18.533 -2.600 1.00 0.00 H new ATOM 508 N ASP A 33 3.370 13.671 -3.446 1.00 0.00 N ATOM 509 CA ASP A 33 2.728 13.507 -4.745 1.00 0.00 C ATOM 510 C ASP A 33 3.725 13.729 -5.878 1.00 0.00 C ATOM 511 O ASP A 33 3.603 13.135 -6.950 1.00 0.00 O ATOM 512 CB ASP A 33 1.555 14.479 -4.884 1.00 0.00 C ATOM 513 CG ASP A 33 0.575 14.053 -5.958 1.00 0.00 C ATOM 514 OD1 ASP A 33 1.002 13.378 -6.918 1.00 0.00 O ATOM 515 OD2 ASP A 33 -0.621 14.393 -5.839 1.00 0.00 O ATOM 0 H ASP A 33 3.055 14.486 -2.920 1.00 0.00 H new ATOM 0 HA ASP A 33 2.354 12.485 -4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.034 14.554 -3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.936 15.473 -5.118 1.00 0.00 H new ATOM 520 N TRP A 34 4.710 14.587 -5.634 1.00 0.00 N ATOM 521 CA TRP A 34 5.727 14.888 -6.635 1.00 0.00 C ATOM 522 C TRP A 34 7.050 14.214 -6.289 1.00 0.00 C ATOM 523 O TRP A 34 8.122 14.753 -6.560 1.00 0.00 O ATOM 524 CB TRP A 34 5.927 16.401 -6.752 1.00 0.00 C ATOM 525 CG TRP A 34 5.017 17.045 -7.752 1.00 0.00 C ATOM 526 CD1 TRP A 34 3.782 17.577 -7.515 1.00 0.00 C ATOM 527 CD2 TRP A 34 5.270 17.224 -9.150 1.00 0.00 C ATOM 528 NE1 TRP A 34 3.252 18.077 -8.680 1.00 0.00 N ATOM 529 CE2 TRP A 34 4.146 17.872 -9.698 1.00 0.00 C ATOM 530 CE3 TRP A 34 6.337 16.900 -9.993 1.00 0.00 C ATOM 531 CZ2 TRP A 34 4.060 18.202 -11.048 1.00 0.00 C ATOM 532 CZ3 TRP A 34 6.251 17.229 -11.333 1.00 0.00 C ATOM 533 CH2 TRP A 34 5.120 17.874 -11.849 1.00 0.00 C ATOM 0 H TRP A 34 4.826 15.086 -4.752 1.00 0.00 H new ATOM 0 HA TRP A 34 5.382 14.499 -7.593 1.00 0.00 H new ATOM 0 HB2 TRP A 34 5.764 16.858 -5.776 1.00 0.00 H new ATOM 0 HB3 TRP A 34 6.961 16.603 -7.030 1.00 0.00 H new ATOM 0 HD1 TRP A 34 3.293 17.601 -6.552 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.341 18.527 -8.772 1.00 0.00 H new ATOM 0 HE3 TRP A 34 7.213 16.402 -9.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.189 18.699 -11.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 7.070 16.984 -11.993 1.00 0.00 H new ATOM 0 HH2 TRP A 34 5.084 18.118 -12.901 1.00 0.00 H new ATOM 544 N ASP A 35 6.966 13.031 -5.688 1.00 0.00 N ATOM 545 CA ASP A 35 8.159 12.284 -5.305 1.00 0.00 C ATOM 546 C ASP A 35 8.606 11.358 -6.435 1.00 0.00 C ATOM 547 O ASP A 35 7.787 10.881 -7.219 1.00 0.00 O ATOM 548 CB ASP A 35 7.891 11.469 -4.037 1.00 0.00 C ATOM 549 CG ASP A 35 8.295 12.208 -2.776 1.00 0.00 C ATOM 550 OD1 ASP A 35 8.927 13.279 -2.890 1.00 0.00 O ATOM 551 OD2 ASP A 35 7.980 11.713 -1.673 1.00 0.00 O ATOM 0 H ASP A 35 6.086 12.570 -5.456 1.00 0.00 H new ATOM 0 HA ASP A 35 8.958 12.999 -5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.831 11.221 -3.985 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.436 10.527 -4.093 1.00 0.00 H new ATOM 556 N PRO A 36 9.921 11.093 -6.531 1.00 0.00 N ATOM 557 CA PRO A 36 10.477 10.221 -7.571 1.00 0.00 C ATOM 558 C PRO A 36 9.894 8.811 -7.517 1.00 0.00 C ATOM 559 O PRO A 36 9.174 8.392 -8.423 1.00 0.00 O ATOM 560 CB PRO A 36 11.981 10.193 -7.267 1.00 0.00 C ATOM 561 CG PRO A 36 12.110 10.675 -5.861 1.00 0.00 C ATOM 562 CD PRO A 36 10.965 11.620 -5.638 1.00 0.00 C ATOM 0 HA PRO A 36 10.245 10.589 -8.570 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.385 9.187 -7.376 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.533 10.834 -7.954 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.071 9.843 -5.159 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.065 11.177 -5.707 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.642 11.623 -4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.233 12.646 -5.892 1.00 0.00 H new ATOM 570 N THR A 37 10.213 8.083 -6.451 1.00 0.00 N ATOM 571 CA THR A 37 9.726 6.725 -6.278 1.00 0.00 C ATOM 572 C THR A 37 8.205 6.677 -6.356 1.00 0.00 C ATOM 573 O THR A 37 7.626 5.685 -6.797 1.00 0.00 O ATOM 574 CB THR A 37 10.198 6.158 -4.937 1.00 0.00 C ATOM 575 OG1 THR A 37 11.606 6.267 -4.814 1.00 0.00 O ATOM 576 CG2 THR A 37 9.831 4.704 -4.741 1.00 0.00 C ATOM 0 H THR A 37 10.809 8.416 -5.693 1.00 0.00 H new ATOM 0 HA THR A 37 10.132 6.116 -7.086 1.00 0.00 H new ATOM 0 HB THR A 37 9.689 6.750 -4.177 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.874 6.026 -3.903 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.195 4.364 -3.771 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.747 4.594 -4.781 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.286 4.104 -5.529 1.00 0.00 H new ATOM 584 N CYS A 38 7.567 7.758 -5.924 1.00 0.00 N ATOM 585 CA CYS A 38 6.112 7.846 -5.943 1.00 0.00 C ATOM 586 C CYS A 38 5.581 7.774 -7.371 1.00 0.00 C ATOM 587 O CYS A 38 4.485 7.268 -7.613 1.00 0.00 O ATOM 588 CB CYS A 38 5.648 9.145 -5.279 1.00 0.00 C ATOM 589 SG CYS A 38 5.288 8.983 -3.514 1.00 0.00 S ATOM 0 H CYS A 38 8.035 8.586 -5.556 1.00 0.00 H new ATOM 0 HA CYS A 38 5.715 6.999 -5.383 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.418 9.905 -5.414 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.754 9.503 -5.790 1.00 0.00 H new ATOM 0 HG CYS A 38 6.402 8.895 -2.850 1.00 0.00 H new ATOM 595 N MET A 39 6.366 8.284 -8.314 1.00 0.00 N ATOM 596 CA MET A 39 5.976 8.278 -9.719 1.00 0.00 C ATOM 597 C MET A 39 6.068 6.873 -10.304 1.00 0.00 C ATOM 598 O MET A 39 5.241 6.475 -11.125 1.00 0.00 O ATOM 599 CB MET A 39 6.860 9.237 -10.519 1.00 0.00 C ATOM 600 CG MET A 39 6.106 10.014 -11.585 1.00 0.00 C ATOM 601 SD MET A 39 6.291 9.296 -13.229 1.00 0.00 S ATOM 602 CE MET A 39 7.984 9.742 -13.605 1.00 0.00 C ATOM 0 H MET A 39 7.276 8.707 -8.131 1.00 0.00 H new ATOM 0 HA MET A 39 4.940 8.610 -9.784 1.00 0.00 H new ATOM 0 HB2 MET A 39 7.331 9.941 -9.833 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.661 8.670 -10.993 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.048 10.048 -11.324 1.00 0.00 H new ATOM 0 HG3 MET A 39 6.464 11.044 -11.600 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.162 9.627 -14.674 1.00 0.00 H new ATOM 0 HE2 MET A 39 8.160 10.779 -13.317 1.00 0.00 H new ATOM 0 HE3 MET A 39 8.663 9.092 -13.053 1.00 0.00 H new ATOM 612 N LYS A 40 7.082 6.126 -9.878 1.00 0.00 N ATOM 613 CA LYS A 40 7.284 4.764 -10.359 1.00 0.00 C ATOM 614 C LYS A 40 6.190 3.836 -9.844 1.00 0.00 C ATOM 615 O LYS A 40 5.539 3.136 -10.621 1.00 0.00 O ATOM 616 CB LYS A 40 8.656 4.246 -9.924 1.00 0.00 C ATOM 617 CG LYS A 40 9.817 5.056 -10.478 1.00 0.00 C ATOM 618 CD LYS A 40 11.139 4.630 -9.861 1.00 0.00 C ATOM 619 CE LYS A 40 12.046 5.823 -9.608 1.00 0.00 C ATOM 620 NZ LYS A 40 12.821 5.673 -8.345 1.00 0.00 N ATOM 0 H LYS A 40 7.776 6.441 -9.201 1.00 0.00 H new ATOM 0 HA LYS A 40 7.237 4.780 -11.448 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.708 4.250 -8.835 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.762 3.209 -10.244 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.863 4.934 -11.560 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.648 6.115 -10.284 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.952 4.108 -8.922 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.640 3.925 -10.524 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.735 5.940 -10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.446 6.732 -9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.540 6.417 -7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.627 4.740 -7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.837 5.757 -8.549 1.00 0.00 H new ATOM 634 N MET A 41 5.993 3.832 -8.530 1.00 0.00 N ATOM 635 CA MET A 41 4.979 2.988 -7.910 1.00 0.00 C ATOM 636 C MET A 41 3.585 3.350 -8.413 1.00 0.00 C ATOM 637 O MET A 41 2.758 2.475 -8.665 1.00 0.00 O ATOM 638 CB MET A 41 5.034 3.122 -6.387 1.00 0.00 C ATOM 639 CG MET A 41 4.481 1.914 -5.649 1.00 0.00 C ATOM 640 SD MET A 41 2.691 1.763 -5.805 1.00 0.00 S ATOM 641 CE MET A 41 2.368 0.402 -4.689 1.00 0.00 C ATOM 0 H MET A 41 6.523 4.405 -7.873 1.00 0.00 H new ATOM 0 HA MET A 41 5.187 1.954 -8.185 1.00 0.00 H new ATOM 0 HB2 MET A 41 6.068 3.281 -6.082 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.473 4.008 -6.088 1.00 0.00 H new ATOM 0 HG2 MET A 41 4.953 1.010 -6.035 1.00 0.00 H new ATOM 0 HG3 MET A 41 4.745 1.986 -4.594 1.00 0.00 H new ATOM 0 HE1 MET A 41 1.738 -0.335 -5.187 1.00 0.00 H new ATOM 0 HE2 MET A 41 3.311 -0.063 -4.400 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.859 0.774 -3.800 1.00 0.00 H new ATOM 651 N ASP A 42 3.332 4.646 -8.554 1.00 0.00 N ATOM 652 CA ASP A 42 2.037 5.125 -9.026 1.00 0.00 C ATOM 653 C ASP A 42 1.852 4.823 -10.510 1.00 0.00 C ATOM 654 O ASP A 42 0.785 4.381 -10.937 1.00 0.00 O ATOM 655 CB ASP A 42 1.905 6.629 -8.781 1.00 0.00 C ATOM 656 CG ASP A 42 1.778 6.966 -7.308 1.00 0.00 C ATOM 657 OD1 ASP A 42 1.450 6.056 -6.516 1.00 0.00 O ATOM 658 OD2 ASP A 42 2.005 8.139 -6.945 1.00 0.00 O ATOM 0 H ASP A 42 4.006 5.384 -8.349 1.00 0.00 H new ATOM 0 HA ASP A 42 1.260 4.603 -8.467 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.775 7.139 -9.194 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.032 7.006 -9.314 1.00 0.00 H new ATOM 663 N GLU A 43 2.901 5.060 -11.292 1.00 0.00 N ATOM 664 CA GLU A 43 2.857 4.811 -12.729 1.00 0.00 C ATOM 665 C GLU A 43 2.499 3.357 -13.015 1.00 0.00 C ATOM 666 O GLU A 43 1.802 3.057 -13.985 1.00 0.00 O ATOM 667 CB GLU A 43 4.203 5.153 -13.371 1.00 0.00 C ATOM 668 CG GLU A 43 4.354 6.624 -13.720 1.00 0.00 C ATOM 669 CD GLU A 43 3.615 7.001 -14.988 1.00 0.00 C ATOM 670 OE1 GLU A 43 2.686 6.262 -15.375 1.00 0.00 O ATOM 671 OE2 GLU A 43 3.964 8.036 -15.594 1.00 0.00 O ATOM 0 H GLU A 43 3.792 5.424 -10.955 1.00 0.00 H new ATOM 0 HA GLU A 43 2.086 5.450 -13.160 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.004 4.866 -12.690 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.326 4.559 -14.277 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.982 7.230 -12.894 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.412 6.859 -13.837 1.00 0.00 H new ATOM 678 N VAL A 44 2.975 2.460 -12.160 1.00 0.00 N ATOM 679 CA VAL A 44 2.703 1.037 -12.315 1.00 0.00 C ATOM 680 C VAL A 44 1.344 0.677 -11.723 1.00 0.00 C ATOM 681 O VAL A 44 0.668 -0.230 -12.203 1.00 0.00 O ATOM 682 CB VAL A 44 3.793 0.178 -11.645 1.00 0.00 C ATOM 683 CG1 VAL A 44 3.846 0.444 -10.148 1.00 0.00 C ATOM 684 CG2 VAL A 44 3.557 -1.298 -11.923 1.00 0.00 C ATOM 0 H VAL A 44 3.552 2.693 -11.352 1.00 0.00 H new ATOM 0 HA VAL A 44 2.699 0.826 -13.384 1.00 0.00 H new ATOM 0 HB VAL A 44 4.757 0.456 -12.072 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.622 -0.173 -9.696 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.071 1.496 -9.973 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.882 0.200 -9.701 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.337 -1.888 -11.442 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.584 -1.592 -11.528 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.580 -1.474 -12.998 1.00 0.00 H new ATOM 694 N LEU A 45 0.953 1.397 -10.675 1.00 0.00 N ATOM 695 CA LEU A 45 -0.324 1.161 -10.011 1.00 0.00 C ATOM 696 C LEU A 45 -1.476 1.169 -11.013 1.00 0.00 C ATOM 697 O LEU A 45 -2.334 0.286 -10.995 1.00 0.00 O ATOM 698 CB LEU A 45 -0.563 2.224 -8.934 1.00 0.00 C ATOM 699 CG LEU A 45 -0.989 1.680 -7.571 1.00 0.00 C ATOM 700 CD1 LEU A 45 -2.390 1.093 -7.645 1.00 0.00 C ATOM 701 CD2 LEU A 45 0.003 0.637 -7.079 1.00 0.00 C ATOM 0 H LEU A 45 1.505 2.151 -10.267 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.284 0.177 -9.544 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.352 2.803 -8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.330 2.913 -9.289 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.000 2.505 -6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.676 0.711 -6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.093 1.867 -7.952 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.406 0.280 -8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.317 0.261 -6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.047 -0.187 -7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.990 1.089 -6.986 1.00 0.00 H new ATOM 713 N TYR A 46 -1.489 2.173 -11.881 1.00 0.00 N ATOM 714 CA TYR A 46 -2.535 2.301 -12.890 1.00 0.00 C ATOM 715 C TYR A 46 -2.577 1.079 -13.804 1.00 0.00 C ATOM 716 O TYR A 46 -3.630 0.728 -14.335 1.00 0.00 O ATOM 717 CB TYR A 46 -2.313 3.565 -13.723 1.00 0.00 C ATOM 718 CG TYR A 46 -3.593 4.261 -14.125 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.523 3.631 -14.942 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.872 5.550 -13.687 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.694 4.264 -15.312 1.00 0.00 C ATOM 722 CE2 TYR A 46 -5.042 6.189 -14.052 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.949 5.542 -14.863 1.00 0.00 C ATOM 724 OH TYR A 46 -7.114 6.177 -15.229 1.00 0.00 O ATOM 0 H TYR A 46 -0.786 2.912 -11.907 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.492 2.372 -12.372 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.695 4.260 -13.155 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.754 3.304 -14.622 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.327 2.629 -15.294 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.164 6.060 -13.051 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.406 3.760 -15.949 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.244 7.191 -13.703 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.820 5.511 -15.367 1.00 0.00 H new ATOM 734 N SER A 47 -1.427 0.439 -13.989 1.00 0.00 N ATOM 735 CA SER A 47 -1.338 -0.739 -14.847 1.00 0.00 C ATOM 736 C SER A 47 -1.594 -2.021 -14.059 1.00 0.00 C ATOM 737 O SER A 47 -2.058 -3.018 -14.613 1.00 0.00 O ATOM 738 CB SER A 47 0.037 -0.805 -15.514 1.00 0.00 C ATOM 739 OG SER A 47 0.000 -1.603 -16.684 1.00 0.00 O ATOM 0 H SER A 47 -0.545 0.715 -13.558 1.00 0.00 H new ATOM 0 HA SER A 47 -2.108 -0.652 -15.614 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.370 0.201 -15.767 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.765 -1.215 -14.814 1.00 0.00 H new ATOM 0 HG SER A 47 0.891 -1.627 -17.092 1.00 0.00 H new ATOM 745 N ILE A 48 -1.284 -1.993 -12.767 1.00 0.00 N ATOM 746 CA ILE A 48 -1.478 -3.156 -11.910 1.00 0.00 C ATOM 747 C ILE A 48 -2.707 -2.991 -11.022 1.00 0.00 C ATOM 748 O ILE A 48 -2.783 -3.571 -9.938 1.00 0.00 O ATOM 749 CB ILE A 48 -0.243 -3.408 -11.021 1.00 0.00 C ATOM 750 CG1 ILE A 48 0.008 -2.207 -10.104 1.00 0.00 C ATOM 751 CG2 ILE A 48 0.981 -3.690 -11.880 1.00 0.00 C ATOM 752 CD1 ILE A 48 0.322 -2.595 -8.675 1.00 0.00 C ATOM 0 H ILE A 48 -0.898 -1.178 -12.291 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.626 -4.012 -12.568 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.435 -4.282 -10.399 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.836 -1.621 -10.504 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.871 -1.563 -10.113 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.844 -3.866 -11.237 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.800 -4.573 -12.493 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.178 -2.834 -12.525 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.489 -1.696 -8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.515 -3.155 -8.258 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.219 -3.214 -8.655 1.00 0.00 H new ATOM 764 N ALA A 49 -3.667 -2.198 -11.485 1.00 0.00 N ATOM 765 CA ALA A 49 -4.891 -1.959 -10.730 1.00 0.00 C ATOM 766 C ALA A 49 -5.979 -2.954 -11.119 1.00 0.00 C ATOM 767 O ALA A 49 -6.611 -3.565 -10.258 1.00 0.00 O ATOM 768 CB ALA A 49 -5.375 -0.533 -10.948 1.00 0.00 C ATOM 0 H ALA A 49 -3.621 -1.710 -12.379 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.669 -2.098 -9.672 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.290 -0.368 -10.379 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.609 0.166 -10.614 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.574 -0.374 -12.008 1.00 0.00 H new ATOM 774 N GLU A 50 -6.194 -3.108 -12.422 1.00 0.00 N ATOM 775 CA GLU A 50 -7.206 -4.024 -12.933 1.00 0.00 C ATOM 776 C GLU A 50 -7.092 -5.401 -12.282 1.00 0.00 C ATOM 777 O GLU A 50 -8.079 -6.128 -12.172 1.00 0.00 O ATOM 778 CB GLU A 50 -7.081 -4.156 -14.453 1.00 0.00 C ATOM 779 CG GLU A 50 -5.685 -4.535 -14.918 1.00 0.00 C ATOM 780 CD GLU A 50 -5.514 -4.399 -16.419 1.00 0.00 C ATOM 781 OE1 GLU A 50 -6.347 -4.957 -17.164 1.00 0.00 O ATOM 782 OE2 GLU A 50 -4.547 -3.736 -16.848 1.00 0.00 O ATOM 0 H GLU A 50 -5.678 -2.607 -13.145 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.184 -3.611 -12.685 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.788 -4.908 -14.803 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.365 -3.211 -14.916 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.954 -3.903 -14.414 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.474 -5.563 -14.624 1.00 0.00 H new ATOM 789 N LYS A 51 -5.884 -5.753 -11.855 1.00 0.00 N ATOM 790 CA LYS A 51 -5.642 -7.044 -11.216 1.00 0.00 C ATOM 791 C LYS A 51 -6.571 -7.248 -10.022 1.00 0.00 C ATOM 792 O LYS A 51 -7.464 -8.094 -10.057 1.00 0.00 O ATOM 793 CB LYS A 51 -4.185 -7.147 -10.764 1.00 0.00 C ATOM 794 CG LYS A 51 -3.183 -6.945 -11.890 1.00 0.00 C ATOM 795 CD LYS A 51 -3.258 -8.068 -12.912 1.00 0.00 C ATOM 796 CE LYS A 51 -3.141 -7.539 -14.332 1.00 0.00 C ATOM 797 NZ LYS A 51 -3.551 -8.554 -15.340 1.00 0.00 N ATOM 0 H LYS A 51 -5.056 -5.163 -11.939 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.846 -7.825 -11.948 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.001 -6.405 -9.987 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.021 -8.126 -10.314 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.374 -5.991 -12.382 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.176 -6.894 -11.477 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.460 -8.786 -12.724 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.201 -8.602 -12.798 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.762 -6.649 -14.440 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.112 -7.234 -14.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.456 -8.153 -16.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.943 -9.393 -15.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.541 -8.826 -15.176 1.00 0.00 H new ATOM 811 N VAL A 52 -6.355 -6.468 -8.969 1.00 0.00 N ATOM 812 CA VAL A 52 -7.174 -6.566 -7.766 1.00 0.00 C ATOM 813 C VAL A 52 -8.105 -5.364 -7.630 1.00 0.00 C ATOM 814 O VAL A 52 -8.518 -5.010 -6.526 1.00 0.00 O ATOM 815 CB VAL A 52 -6.303 -6.669 -6.500 1.00 0.00 C ATOM 816 CG1 VAL A 52 -5.690 -8.056 -6.385 1.00 0.00 C ATOM 817 CG2 VAL A 52 -5.222 -5.599 -6.507 1.00 0.00 C ATOM 0 H VAL A 52 -5.621 -5.762 -8.924 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.770 -7.473 -7.865 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.938 -6.505 -5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.078 -8.110 -5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.484 -8.801 -6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.068 -8.253 -7.258 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.617 -5.687 -5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.588 -5.728 -7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.686 -4.613 -6.537 1.00 0.00 H new ATOM 827 N LYS A 53 -8.429 -4.739 -8.759 1.00 0.00 N ATOM 828 CA LYS A 53 -9.307 -3.577 -8.770 1.00 0.00 C ATOM 829 C LYS A 53 -10.593 -3.847 -7.992 1.00 0.00 C ATOM 830 O LYS A 53 -11.187 -2.933 -7.420 1.00 0.00 O ATOM 831 CB LYS A 53 -9.643 -3.179 -10.208 1.00 0.00 C ATOM 832 CG LYS A 53 -10.399 -4.252 -10.977 1.00 0.00 C ATOM 833 CD LYS A 53 -11.663 -3.696 -11.614 1.00 0.00 C ATOM 834 CE LYS A 53 -12.692 -3.306 -10.565 1.00 0.00 C ATOM 835 NZ LYS A 53 -12.562 -1.879 -10.162 1.00 0.00 N ATOM 0 H LYS A 53 -8.094 -5.021 -9.680 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.780 -2.756 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.239 -2.266 -10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.719 -2.948 -10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.754 -4.669 -11.750 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.659 -5.069 -10.304 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.413 -2.826 -12.221 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.091 -4.441 -12.285 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.694 -3.483 -10.956 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.575 -3.943 -9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.506 -1.445 -10.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.106 -1.822 -9.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.983 -1.372 -10.862 1.00 0.00 H new ATOM 849 N ASN A 54 -11.017 -5.107 -7.977 1.00 0.00 N ATOM 850 CA ASN A 54 -12.233 -5.496 -7.271 1.00 0.00 C ATOM 851 C ASN A 54 -11.912 -6.419 -6.100 1.00 0.00 C ATOM 852 O ASN A 54 -12.717 -7.276 -5.734 1.00 0.00 O ATOM 853 CB ASN A 54 -13.204 -6.188 -8.229 1.00 0.00 C ATOM 854 CG ASN A 54 -12.539 -7.289 -9.031 1.00 0.00 C ATOM 855 OD1 ASN A 54 -11.614 -7.038 -9.803 1.00 0.00 O ATOM 856 ND2 ASN A 54 -13.010 -8.518 -8.852 1.00 0.00 N ATOM 0 H ASN A 54 -10.537 -5.876 -8.445 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.700 -4.592 -6.880 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.034 -6.607 -7.660 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.625 -5.449 -8.911 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.603 -9.300 -9.365 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.779 -8.680 -8.201 1.00 0.00 H new ATOM 863 N PHE A 55 -10.733 -6.239 -5.515 1.00 0.00 N ATOM 864 CA PHE A 55 -10.308 -7.056 -4.384 1.00 0.00 C ATOM 865 C PHE A 55 -9.692 -6.191 -3.293 1.00 0.00 C ATOM 866 O PHE A 55 -10.081 -6.266 -2.128 1.00 0.00 O ATOM 867 CB PHE A 55 -9.304 -8.116 -4.839 1.00 0.00 C ATOM 868 CG PHE A 55 -9.929 -9.246 -5.604 1.00 0.00 C ATOM 869 CD1 PHE A 55 -11.092 -9.849 -5.149 1.00 0.00 C ATOM 870 CD2 PHE A 55 -9.356 -9.708 -6.779 1.00 0.00 C ATOM 871 CE1 PHE A 55 -11.670 -10.889 -5.850 1.00 0.00 C ATOM 872 CE2 PHE A 55 -9.929 -10.748 -7.484 1.00 0.00 C ATOM 873 CZ PHE A 55 -11.089 -11.340 -7.019 1.00 0.00 C ATOM 0 H PHE A 55 -10.055 -5.535 -5.805 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.188 -7.554 -3.977 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.545 -7.642 -5.462 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.793 -8.519 -3.965 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.551 -9.501 -4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.450 -9.249 -7.147 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -12.576 -11.349 -5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.472 -11.099 -8.397 1.00 0.00 H new ATOM 0 HZ PHE A 55 -11.540 -12.153 -7.569 1.00 0.00 H new ATOM 883 N ALA A 56 -8.729 -5.371 -3.684 1.00 0.00 N ATOM 884 CA ALA A 56 -8.050 -4.482 -2.748 1.00 0.00 C ATOM 885 C ALA A 56 -8.244 -3.022 -3.141 1.00 0.00 C ATOM 886 O ALA A 56 -8.815 -2.723 -4.191 1.00 0.00 O ATOM 887 CB ALA A 56 -6.568 -4.821 -2.681 1.00 0.00 C ATOM 0 H ALA A 56 -8.398 -5.301 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.490 -4.627 -1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.073 -4.150 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.445 -5.851 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.123 -4.705 -3.669 1.00 0.00 H new ATOM 893 N VAL A 57 -7.766 -2.116 -2.295 1.00 0.00 N ATOM 894 CA VAL A 57 -7.888 -0.688 -2.559 1.00 0.00 C ATOM 895 C VAL A 57 -6.660 0.066 -2.065 1.00 0.00 C ATOM 896 O VAL A 57 -6.344 0.047 -0.876 1.00 0.00 O ATOM 897 CB VAL A 57 -9.143 -0.093 -1.895 1.00 0.00 C ATOM 898 CG1 VAL A 57 -10.380 -0.402 -2.721 1.00 0.00 C ATOM 899 CG2 VAL A 57 -9.297 -0.614 -0.473 1.00 0.00 C ATOM 0 H VAL A 57 -7.291 -2.345 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.974 -0.574 -3.640 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.027 0.990 -1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.257 0.026 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.269 0.028 -3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.502 -1.482 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.190 -0.181 -0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.390 -1.700 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.422 -0.334 0.114 1.00 0.00 H new ATOM 909 N ILE A 58 -5.971 0.729 -2.984 1.00 0.00 N ATOM 910 CA ILE A 58 -4.777 1.488 -2.641 1.00 0.00 C ATOM 911 C ILE A 58 -5.119 2.947 -2.347 1.00 0.00 C ATOM 912 O ILE A 58 -6.175 3.438 -2.745 1.00 0.00 O ATOM 913 CB ILE A 58 -3.730 1.427 -3.772 1.00 0.00 C ATOM 914 CG1 ILE A 58 -2.421 2.073 -3.316 1.00 0.00 C ATOM 915 CG2 ILE A 58 -4.255 2.101 -5.033 1.00 0.00 C ATOM 916 CD1 ILE A 58 -1.221 1.657 -4.139 1.00 0.00 C ATOM 0 H ILE A 58 -6.219 0.756 -3.973 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.355 1.033 -1.745 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.536 0.381 -4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.525 3.157 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.242 1.815 -2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.499 2.046 -5.817 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.161 1.595 -5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.481 3.146 -4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.329 2.154 -3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.091 0.577 -4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.378 1.940 -5.180 1.00 0.00 H new ATOM 928 N TYR A 59 -4.213 3.635 -1.657 1.00 0.00 N ATOM 929 CA TYR A 59 -4.408 5.026 -1.318 1.00 0.00 C ATOM 930 C TYR A 59 -3.086 5.685 -0.939 1.00 0.00 C ATOM 931 O TYR A 59 -2.362 5.196 -0.071 1.00 0.00 O ATOM 932 CB TYR A 59 -5.413 5.172 -0.173 1.00 0.00 C ATOM 933 CG TYR A 59 -6.848 4.927 -0.583 1.00 0.00 C ATOM 934 CD1 TYR A 59 -7.590 5.919 -1.212 1.00 0.00 C ATOM 935 CD2 TYR A 59 -7.460 3.703 -0.342 1.00 0.00 C ATOM 936 CE1 TYR A 59 -8.902 5.699 -1.586 1.00 0.00 C ATOM 937 CE2 TYR A 59 -8.771 3.476 -0.714 1.00 0.00 C ATOM 938 CZ TYR A 59 -9.487 4.476 -1.335 1.00 0.00 C ATOM 939 OH TYR A 59 -10.793 4.253 -1.709 1.00 0.00 O ATOM 0 H TYR A 59 -3.333 3.241 -1.324 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.807 5.529 -2.199 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.148 4.474 0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.331 6.176 0.244 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.134 6.877 -1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.902 2.916 0.144 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.466 6.481 -2.072 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.232 2.519 -0.519 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.053 3.341 -1.462 1.00 0.00 H new ATOM 949 N LEU A 60 -2.777 6.798 -1.597 1.00 0.00 N ATOM 950 CA LEU A 60 -1.541 7.525 -1.329 1.00 0.00 C ATOM 951 C LEU A 60 -1.671 8.375 -0.070 1.00 0.00 C ATOM 952 O LEU A 60 -2.743 8.903 0.228 1.00 0.00 O ATOM 953 CB LEU A 60 -1.181 8.415 -2.521 1.00 0.00 C ATOM 954 CG LEU A 60 -0.580 7.678 -3.720 1.00 0.00 C ATOM 955 CD1 LEU A 60 0.804 7.148 -3.383 1.00 0.00 C ATOM 956 CD2 LEU A 60 -1.494 6.544 -4.161 1.00 0.00 C ATOM 0 H LEU A 60 -3.365 7.216 -2.319 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.747 6.795 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.079 8.939 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.473 9.174 -2.188 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.485 8.384 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.215 6.627 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.457 7.979 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.734 6.457 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.051 6.031 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.621 5.839 -3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.465 6.949 -4.445 1.00 0.00 H new ATOM 968 N VAL A 61 -0.573 8.502 0.668 1.00 0.00 N ATOM 969 CA VAL A 61 -0.564 9.287 1.897 1.00 0.00 C ATOM 970 C VAL A 61 0.544 10.335 1.871 1.00 0.00 C ATOM 971 O VAL A 61 1.728 9.999 1.844 1.00 0.00 O ATOM 972 CB VAL A 61 -0.378 8.390 3.135 1.00 0.00 C ATOM 973 CG1 VAL A 61 -0.566 9.195 4.412 1.00 0.00 C ATOM 974 CG2 VAL A 61 -1.339 7.213 3.092 1.00 0.00 C ATOM 0 H VAL A 61 0.322 8.071 0.436 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.531 9.786 1.961 1.00 0.00 H new ATOM 0 HB VAL A 61 0.639 7.999 3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.431 8.544 5.276 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.168 10.000 4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.570 9.618 4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.192 6.591 3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.365 7.581 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.150 6.622 2.196 1.00 0.00 H new ATOM 984 N ASP A 62 0.150 11.604 1.877 1.00 0.00 N ATOM 985 CA ASP A 62 1.111 12.701 1.855 1.00 0.00 C ATOM 986 C ASP A 62 1.813 12.839 3.201 1.00 0.00 C ATOM 987 O ASP A 62 1.240 13.359 4.160 1.00 0.00 O ATOM 988 CB ASP A 62 0.410 14.012 1.495 1.00 0.00 C ATOM 989 CG ASP A 62 -0.355 13.920 0.189 1.00 0.00 C ATOM 990 OD1 ASP A 62 0.089 13.171 -0.707 1.00 0.00 O ATOM 991 OD2 ASP A 62 -1.397 14.598 0.062 1.00 0.00 O ATOM 0 H ASP A 62 -0.826 11.898 1.897 1.00 0.00 H new ATOM 0 HA ASP A 62 1.862 12.477 1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.276 14.285 2.296 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.150 14.809 1.424 1.00 0.00 H new ATOM 996 N ILE A 63 3.055 12.371 3.265 1.00 0.00 N ATOM 997 CA ILE A 63 3.839 12.441 4.494 1.00 0.00 C ATOM 998 C ILE A 63 4.442 13.832 4.682 1.00 0.00 C ATOM 999 O ILE A 63 5.656 13.984 4.822 1.00 0.00 O ATOM 1000 CB ILE A 63 4.967 11.388 4.502 1.00 0.00 C ATOM 1001 CG1 ILE A 63 5.683 11.381 5.855 1.00 0.00 C ATOM 1002 CG2 ILE A 63 5.955 11.654 3.374 1.00 0.00 C ATOM 1003 CD1 ILE A 63 5.192 10.298 6.791 1.00 0.00 C ATOM 0 H ILE A 63 3.541 11.939 2.480 1.00 0.00 H new ATOM 0 HA ILE A 63 3.158 12.233 5.320 1.00 0.00 H new ATOM 0 HB ILE A 63 4.523 10.405 4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.753 11.251 5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.550 12.351 6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.743 10.901 3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.435 11.608 2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.394 12.643 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.743 10.352 7.730 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.129 10.439 6.985 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.350 9.322 6.333 1.00 0.00 H new ATOM 1015 N THR A 64 3.582 14.842 4.684 1.00 0.00 N ATOM 1016 CA THR A 64 4.015 16.223 4.855 1.00 0.00 C ATOM 1017 C THR A 64 2.829 17.119 5.194 1.00 0.00 C ATOM 1018 O THR A 64 2.914 17.973 6.076 1.00 0.00 O ATOM 1019 CB THR A 64 4.703 16.727 3.585 1.00 0.00 C ATOM 1020 OG1 THR A 64 5.799 15.895 3.244 1.00 0.00 O ATOM 1021 CG2 THR A 64 5.222 18.143 3.706 1.00 0.00 C ATOM 0 H THR A 64 2.575 14.730 4.568 1.00 0.00 H new ATOM 0 HA THR A 64 4.726 16.258 5.680 1.00 0.00 H new ATOM 0 HB THR A 64 3.934 16.704 2.813 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.150 15.468 4.053 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.698 18.437 2.771 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.393 18.818 3.919 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.950 18.196 4.516 1.00 0.00 H new ATOM 1029 N GLU A 65 1.721 16.912 4.488 1.00 0.00 N ATOM 1030 CA GLU A 65 0.514 17.695 4.713 1.00 0.00 C ATOM 1031 C GLU A 65 -0.353 17.054 5.792 1.00 0.00 C ATOM 1032 O GLU A 65 -1.065 17.745 6.521 1.00 0.00 O ATOM 1033 CB GLU A 65 -0.284 17.826 3.414 1.00 0.00 C ATOM 1034 CG GLU A 65 -1.549 18.657 3.557 1.00 0.00 C ATOM 1035 CD GLU A 65 -1.773 19.585 2.379 1.00 0.00 C ATOM 1036 OE1 GLU A 65 -0.838 20.334 2.026 1.00 0.00 O ATOM 1037 OE2 GLU A 65 -2.885 19.562 1.809 1.00 0.00 O ATOM 0 H GLU A 65 1.636 16.208 3.755 1.00 0.00 H new ATOM 0 HA GLU A 65 0.811 18.688 5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.351 18.276 2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.552 16.830 3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.407 17.992 3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.491 19.246 4.473 1.00 0.00 H new ATOM 1044 N VAL A 66 -0.289 15.729 5.890 1.00 0.00 N ATOM 1045 CA VAL A 66 -1.069 14.999 6.882 1.00 0.00 C ATOM 1046 C VAL A 66 -0.529 15.244 8.292 1.00 0.00 C ATOM 1047 O VAL A 66 0.684 15.279 8.500 1.00 0.00 O ATOM 1048 CB VAL A 66 -1.068 13.484 6.595 1.00 0.00 C ATOM 1049 CG1 VAL A 66 0.341 12.917 6.697 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -2.011 12.759 7.544 1.00 0.00 C ATOM 0 H VAL A 66 0.294 15.141 5.295 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.092 15.369 6.818 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.423 13.329 5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.318 11.847 6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.986 13.413 5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.729 13.085 7.702 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.997 11.691 7.326 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.690 12.924 8.572 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.023 13.142 7.414 1.00 0.00 H new ATOM 1060 N PRO A 67 -1.422 15.415 9.282 1.00 0.00 N ATOM 1061 CA PRO A 67 -1.020 15.655 10.674 1.00 0.00 C ATOM 1062 C PRO A 67 -0.040 14.603 11.181 1.00 0.00 C ATOM 1063 O PRO A 67 -0.445 13.580 11.735 1.00 0.00 O ATOM 1064 CB PRO A 67 -2.338 15.576 11.446 1.00 0.00 C ATOM 1065 CG PRO A 67 -3.386 15.919 10.446 1.00 0.00 C ATOM 1066 CD PRO A 67 -2.890 15.389 9.129 1.00 0.00 C ATOM 0 HA PRO A 67 -0.502 16.607 10.790 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.496 14.579 11.858 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.348 16.273 12.284 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.342 15.469 10.713 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.543 16.997 10.399 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.256 14.380 8.938 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.218 16.011 8.296 1.00 0.00 H new ATOM 1235 N ASP A 77 12.671 8.229 5.713 1.00 0.00 N ATOM 1236 CA ASP A 77 12.939 7.664 4.394 1.00 0.00 C ATOM 1237 C ASP A 77 12.145 8.398 3.316 1.00 0.00 C ATOM 1238 O ASP A 77 11.055 8.908 3.575 1.00 0.00 O ATOM 1239 CB ASP A 77 12.592 6.175 4.376 1.00 0.00 C ATOM 1240 CG ASP A 77 13.175 5.429 5.560 1.00 0.00 C ATOM 1241 OD1 ASP A 77 14.417 5.391 5.685 1.00 0.00 O ATOM 1242 OD2 ASP A 77 12.389 4.885 6.364 1.00 0.00 O ATOM 0 HA ASP A 77 14.001 7.785 4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.508 6.058 4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.962 5.730 3.452 1.00 0.00 H new ATOM 1247 N PRO A 78 12.684 8.460 2.086 1.00 0.00 N ATOM 1248 CA PRO A 78 12.019 9.135 0.967 1.00 0.00 C ATOM 1249 C PRO A 78 10.586 8.653 0.769 1.00 0.00 C ATOM 1250 O PRO A 78 9.638 9.427 0.898 1.00 0.00 O ATOM 1251 CB PRO A 78 12.883 8.761 -0.241 1.00 0.00 C ATOM 1252 CG PRO A 78 14.227 8.469 0.331 1.00 0.00 C ATOM 1253 CD PRO A 78 13.980 7.876 1.690 1.00 0.00 C ATOM 0 HA PRO A 78 11.937 10.210 1.131 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.478 7.894 -0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.929 9.576 -0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.778 7.775 -0.303 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.825 9.377 0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.936 6.788 1.652 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.771 8.138 2.393 1.00 0.00 H new ATOM 1261 N CYS A 79 10.436 7.371 0.454 1.00 0.00 N ATOM 1262 CA CYS A 79 9.117 6.785 0.239 1.00 0.00 C ATOM 1263 C CYS A 79 9.131 5.291 0.546 1.00 0.00 C ATOM 1264 O CYS A 79 10.186 4.707 0.792 1.00 0.00 O ATOM 1265 CB CYS A 79 8.664 7.015 -1.204 1.00 0.00 C ATOM 1266 SG CYS A 79 8.280 8.739 -1.592 1.00 0.00 S ATOM 0 H CYS A 79 11.211 6.717 0.342 1.00 0.00 H new ATOM 0 HA CYS A 79 8.415 7.272 0.916 1.00 0.00 H new ATOM 0 HB2 CYS A 79 9.446 6.668 -1.879 1.00 0.00 H new ATOM 0 HB3 CYS A 79 7.782 6.405 -1.398 1.00 0.00 H new ATOM 0 HG CYS A 79 8.648 9.499 -0.603 1.00 0.00 H new ATOM 1272 N THR A 80 7.951 4.677 0.530 1.00 0.00 N ATOM 1273 CA THR A 80 7.826 3.251 0.805 1.00 0.00 C ATOM 1274 C THR A 80 6.377 2.796 0.684 1.00 0.00 C ATOM 1275 O THR A 80 5.451 3.560 0.960 1.00 0.00 O ATOM 1276 CB THR A 80 8.349 2.928 2.205 1.00 0.00 C ATOM 1277 OG1 THR A 80 8.348 1.529 2.428 1.00 0.00 O ATOM 1278 CG2 THR A 80 7.530 3.566 3.308 1.00 0.00 C ATOM 0 H THR A 80 7.068 5.146 0.329 1.00 0.00 H new ATOM 0 HA THR A 80 8.423 2.717 0.066 1.00 0.00 H new ATOM 0 HB THR A 80 9.360 3.334 2.239 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.687 1.341 3.328 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.953 3.298 4.276 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.546 4.650 3.192 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.502 3.210 3.250 1.00 0.00 H new ATOM 1286 N VAL A 81 6.187 1.546 0.276 1.00 0.00 N ATOM 1287 CA VAL A 81 4.851 0.991 0.125 1.00 0.00 C ATOM 1288 C VAL A 81 4.506 0.060 1.285 1.00 0.00 C ATOM 1289 O VAL A 81 5.394 -0.498 1.930 1.00 0.00 O ATOM 1290 CB VAL A 81 4.718 0.229 -1.209 1.00 0.00 C ATOM 1291 CG1 VAL A 81 5.451 -1.105 -1.153 1.00 0.00 C ATOM 1292 CG2 VAL A 81 3.254 0.030 -1.567 1.00 0.00 C ATOM 0 H VAL A 81 6.942 0.900 0.045 1.00 0.00 H new ATOM 0 HA VAL A 81 4.150 1.826 0.127 1.00 0.00 H new ATOM 0 HB VAL A 81 5.182 0.830 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.341 -1.621 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.509 -0.931 -0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.029 -1.719 -0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.180 -0.509 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.762 -0.544 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.768 1.001 -1.665 1.00 0.00 H new ATOM 1302 N MET A 82 3.213 -0.102 1.546 1.00 0.00 N ATOM 1303 CA MET A 82 2.756 -0.966 2.629 1.00 0.00 C ATOM 1304 C MET A 82 1.359 -1.508 2.348 1.00 0.00 C ATOM 1305 O MET A 82 0.555 -0.864 1.674 1.00 0.00 O ATOM 1306 CB MET A 82 2.760 -0.199 3.954 1.00 0.00 C ATOM 1307 CG MET A 82 4.133 -0.109 4.601 1.00 0.00 C ATOM 1308 SD MET A 82 4.050 0.356 6.341 1.00 0.00 S ATOM 1309 CE MET A 82 5.503 1.393 6.483 1.00 0.00 C ATOM 0 H MET A 82 2.464 0.353 1.024 1.00 0.00 H new ATOM 0 HA MET A 82 3.443 -1.810 2.699 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.382 0.809 3.782 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.072 -0.684 4.647 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.638 -1.071 4.509 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.737 0.621 4.062 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.590 1.759 7.506 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.390 0.813 6.229 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.414 2.239 5.801 1.00 0.00 H new ATOM 1319 N PHE A 83 1.076 -2.697 2.872 1.00 0.00 N ATOM 1320 CA PHE A 83 -0.224 -3.330 2.684 1.00 0.00 C ATOM 1321 C PHE A 83 -0.969 -3.425 4.012 1.00 0.00 C ATOM 1322 O PHE A 83 -0.354 -3.561 5.069 1.00 0.00 O ATOM 1323 CB PHE A 83 -0.052 -4.724 2.076 1.00 0.00 C ATOM 1324 CG PHE A 83 -0.691 -4.878 0.726 1.00 0.00 C ATOM 1325 CD1 PHE A 83 -2.006 -5.301 0.611 1.00 0.00 C ATOM 1326 CD2 PHE A 83 0.023 -4.604 -0.429 1.00 0.00 C ATOM 1327 CE1 PHE A 83 -2.596 -5.446 -0.630 1.00 0.00 C ATOM 1328 CE2 PHE A 83 -0.562 -4.746 -1.673 1.00 0.00 C ATOM 1329 CZ PHE A 83 -1.873 -5.168 -1.774 1.00 0.00 C ATOM 0 H PHE A 83 1.732 -3.242 3.431 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.810 -2.717 1.999 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.012 -4.945 1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.478 -5.462 2.756 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.576 -5.520 1.502 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.049 -4.275 -0.356 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.621 -5.776 -0.706 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.006 -4.527 -2.565 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.332 -5.280 -2.745 1.00 0.00 H new ATOM 1339 N PHE A 84 -2.295 -3.352 3.954 1.00 0.00 N ATOM 1340 CA PHE A 84 -3.112 -3.431 5.157 1.00 0.00 C ATOM 1341 C PHE A 84 -4.288 -4.382 4.961 1.00 0.00 C ATOM 1342 O PHE A 84 -4.981 -4.330 3.943 1.00 0.00 O ATOM 1343 CB PHE A 84 -3.619 -2.040 5.545 1.00 0.00 C ATOM 1344 CG PHE A 84 -2.812 -1.390 6.634 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -2.686 -1.995 7.874 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -2.178 -0.178 6.415 1.00 0.00 C ATOM 1347 CE1 PHE A 84 -1.944 -1.401 8.877 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -1.434 0.420 7.414 1.00 0.00 C ATOM 1349 CZ PHE A 84 -1.317 -0.192 8.648 1.00 0.00 C ATOM 0 H PHE A 84 -2.824 -3.239 3.089 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.490 -3.821 5.963 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.608 -1.399 4.663 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.657 -2.118 5.870 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.173 -2.941 8.059 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.266 0.305 5.453 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.854 -1.882 9.840 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.944 1.365 7.231 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.737 0.274 9.431 1.00 0.00 H new ATOM 1359 N PHE A 85 -4.503 -5.251 5.943 1.00 0.00 N ATOM 1360 CA PHE A 85 -5.592 -6.218 5.887 1.00 0.00 C ATOM 1361 C PHE A 85 -6.087 -6.555 7.289 1.00 0.00 C ATOM 1362 O PHE A 85 -5.310 -6.587 8.242 1.00 0.00 O ATOM 1363 CB PHE A 85 -5.132 -7.489 5.178 1.00 0.00 C ATOM 1364 CG PHE A 85 -6.188 -8.556 5.100 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -7.469 -8.250 4.669 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -5.898 -9.863 5.457 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -8.442 -9.228 4.596 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -6.868 -10.846 5.387 1.00 0.00 C ATOM 1369 CZ PHE A 85 -8.141 -10.529 4.955 1.00 0.00 C ATOM 0 H PHE A 85 -3.936 -5.305 6.789 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.415 -5.774 5.326 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.811 -7.234 4.168 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.262 -7.889 5.698 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.709 -7.236 4.387 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.904 -10.117 5.794 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.437 -8.977 4.259 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.630 -11.861 5.670 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.900 -11.296 4.898 1.00 0.00 H new ATOM 1379 N ARG A 86 -7.385 -6.808 7.402 1.00 0.00 N ATOM 1380 CA ARG A 86 -7.996 -7.149 8.685 1.00 0.00 C ATOM 1381 C ARG A 86 -7.569 -6.174 9.780 1.00 0.00 C ATOM 1382 O ARG A 86 -7.525 -6.531 10.957 1.00 0.00 O ATOM 1383 CB ARG A 86 -7.622 -8.577 9.086 1.00 0.00 C ATOM 1384 CG ARG A 86 -8.740 -9.321 9.798 1.00 0.00 C ATOM 1385 CD ARG A 86 -8.602 -9.217 11.309 1.00 0.00 C ATOM 1386 NE ARG A 86 -9.400 -8.123 11.858 1.00 0.00 N ATOM 1387 CZ ARG A 86 -10.713 -8.195 12.065 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -11.379 -9.305 11.771 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -11.362 -7.154 12.567 1.00 0.00 N ATOM 0 H ARG A 86 -8.038 -6.784 6.619 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.077 -7.078 8.569 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.337 -9.134 8.193 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.747 -8.546 9.735 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.703 -8.914 9.490 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.728 -10.370 9.501 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.912 -10.157 11.767 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.554 -9.066 11.568 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.923 -7.253 12.097 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.885 -10.109 11.384 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.385 -9.354 11.932 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.855 -6.298 12.794 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.368 -7.208 12.726 1.00 0.00 H new ATOM 1403 N ASN A 87 -7.255 -4.943 9.387 1.00 0.00 N ATOM 1404 CA ASN A 87 -6.832 -3.921 10.338 1.00 0.00 C ATOM 1405 C ASN A 87 -5.609 -4.380 11.126 1.00 0.00 C ATOM 1406 O ASN A 87 -5.426 -4.003 12.284 1.00 0.00 O ATOM 1407 CB ASN A 87 -7.974 -3.585 11.299 1.00 0.00 C ATOM 1408 CG ASN A 87 -7.863 -2.182 11.863 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -7.505 -1.242 11.154 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -8.170 -2.034 13.147 1.00 0.00 N ATOM 0 H ASN A 87 -7.286 -4.629 8.417 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.564 -3.027 9.775 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.926 -3.690 10.778 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.978 -4.304 12.119 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.113 -1.113 13.582 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.462 -2.841 13.698 1.00 0.00 H new ATOM 1417 N LYS A 88 -4.774 -5.196 10.491 1.00 0.00 N ATOM 1418 CA LYS A 88 -3.567 -5.708 11.131 1.00 0.00 C ATOM 1419 C LYS A 88 -2.318 -5.086 10.514 1.00 0.00 C ATOM 1420 O LYS A 88 -2.400 -4.089 9.797 1.00 0.00 O ATOM 1421 CB LYS A 88 -3.509 -7.233 11.009 1.00 0.00 C ATOM 1422 CG LYS A 88 -2.991 -7.923 12.259 1.00 0.00 C ATOM 1423 CD LYS A 88 -4.130 -8.404 13.143 1.00 0.00 C ATOM 1424 CE LYS A 88 -4.874 -7.240 13.777 1.00 0.00 C ATOM 1425 NZ LYS A 88 -4.078 -6.596 14.859 1.00 0.00 N ATOM 0 H LYS A 88 -4.911 -5.517 9.533 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.600 -5.436 12.186 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.507 -7.609 10.783 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.870 -7.498 10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.366 -8.770 11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.359 -7.235 12.820 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.824 -9.001 12.551 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.736 -9.054 13.924 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.112 -6.501 13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.821 -7.593 14.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.663 -5.886 15.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.772 -7.318 15.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.243 -6.133 14.447 1.00 0.00 H new ATOM 1439 N HIS A 89 -1.163 -5.678 10.799 1.00 0.00 N ATOM 1440 CA HIS A 89 0.102 -5.179 10.270 1.00 0.00 C ATOM 1441 C HIS A 89 0.686 -6.148 9.246 1.00 0.00 C ATOM 1442 O HIS A 89 0.815 -7.343 9.511 1.00 0.00 O ATOM 1443 CB HIS A 89 1.102 -4.960 11.408 1.00 0.00 C ATOM 1444 CG HIS A 89 2.310 -4.176 11.000 1.00 0.00 C ATOM 1445 ND1 HIS A 89 2.357 -3.403 9.858 1.00 0.00 N ATOM 1446 CD2 HIS A 89 3.523 -4.046 11.589 1.00 0.00 C ATOM 1447 CE1 HIS A 89 3.545 -2.833 9.761 1.00 0.00 C ATOM 1448 NE2 HIS A 89 4.271 -3.207 10.799 1.00 0.00 N ATOM 0 H HIS A 89 -1.076 -6.503 11.393 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.091 -4.228 9.774 1.00 0.00 H new ATOM 0 HB2 HIS A 89 0.602 -4.441 12.226 1.00 0.00 H new ATOM 0 HB3 HIS A 89 1.421 -5.929 11.792 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.842 -4.515 12.508 1.00 0.00 H new ATOM 0 HE1 HIS A 89 3.867 -2.174 8.968 1.00 0.00 H new ATOM 0 HE2 HIS A 89 5.232 -2.919 10.984 1.00 0.00 H new ATOM 1457 N ILE A 90 1.034 -5.624 8.074 1.00 0.00 N ATOM 1458 CA ILE A 90 1.603 -6.442 7.011 1.00 0.00 C ATOM 1459 C ILE A 90 2.395 -5.586 6.025 1.00 0.00 C ATOM 1460 O ILE A 90 1.844 -4.693 5.380 1.00 0.00 O ATOM 1461 CB ILE A 90 0.504 -7.221 6.255 1.00 0.00 C ATOM 1462 CG1 ILE A 90 1.126 -8.243 5.293 1.00 0.00 C ATOM 1463 CG2 ILE A 90 -0.426 -6.267 5.517 1.00 0.00 C ATOM 1464 CD1 ILE A 90 1.711 -7.638 4.032 1.00 0.00 C ATOM 0 H ILE A 90 0.931 -4.637 7.838 1.00 0.00 H new ATOM 0 HA ILE A 90 2.278 -7.157 7.480 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.091 -7.768 6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.910 -8.788 5.818 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.365 -8.971 5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.192 -6.838 4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.901 -5.596 6.232 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.148 -5.683 4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.129 -8.429 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.928 -7.118 3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.497 -6.932 4.298 1.00 0.00 H new ATOM 1476 N MET A 91 3.690 -5.864 5.916 1.00 0.00 N ATOM 1477 CA MET A 91 4.559 -5.121 5.012 1.00 0.00 C ATOM 1478 C MET A 91 4.897 -5.951 3.777 1.00 0.00 C ATOM 1479 O MET A 91 4.899 -7.181 3.824 1.00 0.00 O ATOM 1480 CB MET A 91 5.845 -4.710 5.730 1.00 0.00 C ATOM 1481 CG MET A 91 5.678 -3.496 6.629 1.00 0.00 C ATOM 1482 SD MET A 91 6.836 -3.489 8.011 1.00 0.00 S ATOM 1483 CE MET A 91 6.090 -4.717 9.082 1.00 0.00 C ATOM 0 H MET A 91 4.161 -6.599 6.443 1.00 0.00 H new ATOM 0 HA MET A 91 4.027 -4.225 4.692 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.201 -5.549 6.328 1.00 0.00 H new ATOM 0 HB3 MET A 91 6.614 -4.499 4.987 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.817 -2.590 6.039 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.659 -3.472 7.014 1.00 0.00 H new ATOM 0 HE1 MET A 91 6.224 -4.422 10.123 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.025 -4.794 8.861 1.00 0.00 H new ATOM 0 HE3 MET A 91 6.566 -5.683 8.915 1.00 0.00 H new ATOM 1493 N ILE A 92 5.182 -5.270 2.671 1.00 0.00 N ATOM 1494 CA ILE A 92 5.519 -5.945 1.424 1.00 0.00 C ATOM 1495 C ILE A 92 6.555 -5.151 0.631 1.00 0.00 C ATOM 1496 O ILE A 92 7.065 -4.135 1.101 1.00 0.00 O ATOM 1497 CB ILE A 92 4.269 -6.165 0.548 1.00 0.00 C ATOM 1498 CG1 ILE A 92 3.706 -4.827 0.057 1.00 0.00 C ATOM 1499 CG2 ILE A 92 3.210 -6.936 1.322 1.00 0.00 C ATOM 1500 CD1 ILE A 92 3.216 -3.929 1.172 1.00 0.00 C ATOM 0 H ILE A 92 5.186 -4.252 2.614 1.00 0.00 H new ATOM 0 HA ILE A 92 5.938 -6.915 1.691 1.00 0.00 H new ATOM 0 HB ILE A 92 4.560 -6.751 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 92 4.477 -4.303 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.883 -5.020 -0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.334 -7.084 0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.610 -7.905 1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.926 -6.372 2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.832 -3.001 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.422 -4.433 1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 92 4.041 -3.706 1.848 1.00 0.00 H new ATOM 1512 N ASP A 93 6.860 -5.624 -0.573 1.00 0.00 N ATOM 1513 CA ASP A 93 7.833 -4.959 -1.431 1.00 0.00 C ATOM 1514 C ASP A 93 7.341 -4.910 -2.874 1.00 0.00 C ATOM 1515 O ASP A 93 7.400 -5.907 -3.594 1.00 0.00 O ATOM 1516 CB ASP A 93 9.181 -5.681 -1.363 1.00 0.00 C ATOM 1517 CG ASP A 93 9.885 -5.468 -0.038 1.00 0.00 C ATOM 1518 OD1 ASP A 93 9.233 -5.641 1.014 1.00 0.00 O ATOM 1519 OD2 ASP A 93 11.086 -5.130 -0.051 1.00 0.00 O ATOM 0 H ASP A 93 6.447 -6.465 -0.976 1.00 0.00 H new ATOM 0 HA ASP A 93 7.958 -3.937 -1.074 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.027 -6.748 -1.522 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.820 -5.328 -2.172 1.00 0.00 H new ATOM 1524 N LEU A 94 6.857 -3.744 -3.289 1.00 0.00 N ATOM 1525 CA LEU A 94 6.353 -3.567 -4.647 1.00 0.00 C ATOM 1526 C LEU A 94 7.447 -3.845 -5.674 1.00 0.00 C ATOM 1527 O LEU A 94 7.166 -4.272 -6.794 1.00 0.00 O ATOM 1528 CB LEU A 94 5.810 -2.147 -4.831 1.00 0.00 C ATOM 1529 CG LEU A 94 6.869 -1.042 -4.836 1.00 0.00 C ATOM 1530 CD1 LEU A 94 7.252 -0.676 -6.262 1.00 0.00 C ATOM 1531 CD2 LEU A 94 6.364 0.183 -4.086 1.00 0.00 C ATOM 0 H LEU A 94 6.803 -2.909 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 94 5.544 -4.280 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.259 -2.105 -5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.097 -1.941 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 94 7.758 -1.414 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.006 0.111 -6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.655 -1.554 -6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.370 -0.323 -6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.129 0.959 -4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.460 0.557 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.141 -0.089 -3.054 1.00 0.00 H new ATOM 1543 N GLY A 95 8.694 -3.600 -5.286 1.00 0.00 N ATOM 1544 CA GLY A 95 9.810 -3.831 -6.184 1.00 0.00 C ATOM 1545 C GLY A 95 10.825 -4.801 -5.611 1.00 0.00 C ATOM 1546 O GLY A 95 10.470 -5.898 -5.180 1.00 0.00 O ATOM 0 H GLY A 95 8.952 -3.245 -4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.436 -4.219 -7.131 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.301 -2.882 -6.400 1.00 0.00 H new ATOM 1613 N LYS A 101 13.180 -1.878 3.027 1.00 0.00 N ATOM 1614 CA LYS A 101 11.917 -1.603 2.357 1.00 0.00 C ATOM 1615 C LYS A 101 12.143 -1.098 0.934 1.00 0.00 C ATOM 1616 O LYS A 101 13.264 -0.757 0.556 1.00 0.00 O ATOM 1617 CB LYS A 101 11.109 -0.575 3.152 1.00 0.00 C ATOM 1618 CG LYS A 101 10.687 -1.064 4.527 1.00 0.00 C ATOM 1619 CD LYS A 101 9.636 -2.158 4.432 1.00 0.00 C ATOM 1620 CE LYS A 101 9.814 -3.199 5.524 1.00 0.00 C ATOM 1621 NZ LYS A 101 10.884 -4.178 5.188 1.00 0.00 N ATOM 0 HA LYS A 101 11.357 -2.537 2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.702 0.332 3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.219 -0.306 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.558 -1.441 5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.293 -0.229 5.106 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.642 -1.717 4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.698 -2.639 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.058 -2.702 6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.873 -3.728 5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.974 -4.871 5.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.639 -4.671 4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.787 -3.677 5.066 1.00 0.00 H new ATOM 1635 N ILE A 102 11.071 -1.054 0.150 1.00 0.00 N ATOM 1636 CA ILE A 102 11.152 -0.591 -1.230 1.00 0.00 C ATOM 1637 C ILE A 102 10.922 0.913 -1.321 1.00 0.00 C ATOM 1638 O ILE A 102 9.827 1.366 -1.656 1.00 0.00 O ATOM 1639 CB ILE A 102 10.125 -1.312 -2.124 1.00 0.00 C ATOM 1640 CG1 ILE A 102 10.206 -2.826 -1.913 1.00 0.00 C ATOM 1641 CG2 ILE A 102 10.357 -0.961 -3.587 1.00 0.00 C ATOM 1642 CD1 ILE A 102 11.521 -3.429 -2.356 1.00 0.00 C ATOM 0 H ILE A 102 10.136 -1.333 0.447 1.00 0.00 H new ATOM 0 HA ILE A 102 12.157 -0.823 -1.583 1.00 0.00 H new ATOM 0 HB ILE A 102 9.125 -0.979 -1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 102 10.052 -3.046 -0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.394 -3.305 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.624 -1.478 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.253 0.115 -3.724 1.00 0.00 H new ATOM 0 HG23 ILE A 102 11.361 -1.269 -3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 102 11.507 -4.504 -2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.668 -3.240 -3.419 1.00 0.00 H new ATOM 0 HD13 ILE A 102 12.337 -2.978 -1.791 1.00 0.00 H new ATOM 1654 N ASN A 103 11.962 1.683 -1.019 1.00 0.00 N ATOM 1655 CA ASN A 103 11.874 3.138 -1.068 1.00 0.00 C ATOM 1656 C ASN A 103 12.312 3.663 -2.432 1.00 0.00 C ATOM 1657 O ASN A 103 11.843 4.707 -2.885 1.00 0.00 O ATOM 1658 CB ASN A 103 12.738 3.759 0.031 1.00 0.00 C ATOM 1659 CG ASN A 103 12.499 3.120 1.385 1.00 0.00 C ATOM 1660 OD1 ASN A 103 11.635 2.255 1.532 1.00 0.00 O ATOM 1661 ND2 ASN A 103 13.263 3.546 2.384 1.00 0.00 N ATOM 0 H ASN A 103 12.875 1.324 -0.738 1.00 0.00 H new ATOM 0 HA ASN A 103 10.834 3.420 -0.906 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.790 3.656 -0.236 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.528 4.827 0.094 1.00 0.00 H new ATOM 0 HD21 ASN A 103 13.146 3.154 3.318 1.00 0.00 H new ATOM 0 HD22 ASN A 103 13.967 4.265 2.217 1.00 0.00 H new ATOM 1668 N TRP A 104 13.211 2.931 -3.082 1.00 0.00 N ATOM 1669 CA TRP A 104 13.709 3.322 -4.396 1.00 0.00 C ATOM 1670 C TRP A 104 12.774 2.836 -5.499 1.00 0.00 C ATOM 1671 O TRP A 104 12.691 3.442 -6.569 1.00 0.00 O ATOM 1672 CB TRP A 104 15.115 2.761 -4.620 1.00 0.00 C ATOM 1673 CG TRP A 104 16.203 3.686 -4.169 1.00 0.00 C ATOM 1674 CD1 TRP A 104 16.203 4.470 -3.051 1.00 0.00 C ATOM 1675 CD2 TRP A 104 17.452 3.928 -4.828 1.00 0.00 C ATOM 1676 NE1 TRP A 104 17.375 5.182 -2.973 1.00 0.00 N ATOM 1677 CE2 TRP A 104 18.159 4.867 -4.052 1.00 0.00 C ATOM 1678 CE3 TRP A 104 18.042 3.439 -5.998 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 19.424 5.326 -4.409 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 19.298 3.896 -6.350 1.00 0.00 C ATOM 1681 CH2 TRP A 104 19.977 4.830 -5.559 1.00 0.00 C ATOM 0 H TRP A 104 13.609 2.064 -2.721 1.00 0.00 H new ATOM 0 HA TRP A 104 13.750 4.411 -4.432 1.00 0.00 H new ATOM 0 HB2 TRP A 104 15.209 1.814 -4.088 1.00 0.00 H new ATOM 0 HB3 TRP A 104 15.248 2.546 -5.680 1.00 0.00 H new ATOM 0 HD1 TRP A 104 15.398 4.523 -2.332 1.00 0.00 H new ATOM 0 HE1 TRP A 104 17.622 5.838 -2.232 1.00 0.00 H new ATOM 0 HE3 TRP A 104 17.526 2.718 -6.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 19.950 6.047 -3.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 19.764 3.526 -7.251 1.00 0.00 H new ATOM 0 HH2 TRP A 104 20.957 5.166 -5.862 1.00 0.00 H new ATOM 1692 N ALA A 105 12.070 1.739 -5.232 1.00 0.00 N ATOM 1693 CA ALA A 105 11.139 1.170 -6.198 1.00 0.00 C ATOM 1694 C ALA A 105 11.864 0.697 -7.454 1.00 0.00 C ATOM 1695 O ALA A 105 12.736 1.391 -7.978 1.00 0.00 O ATOM 1696 CB ALA A 105 10.062 2.181 -6.557 1.00 0.00 C ATOM 0 H ALA A 105 12.128 1.227 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 105 10.667 0.303 -5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.375 1.740 -7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.513 2.462 -5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.525 3.067 -6.991 1.00 0.00 H new ATOM 1702 N MET A 106 11.497 -0.488 -7.931 1.00 0.00 N ATOM 1703 CA MET A 106 12.108 -1.061 -9.124 1.00 0.00 C ATOM 1704 C MET A 106 11.501 -2.424 -9.439 1.00 0.00 C ATOM 1705 O MET A 106 10.920 -3.070 -8.567 1.00 0.00 O ATOM 1706 CB MET A 106 13.621 -1.195 -8.939 1.00 0.00 C ATOM 1707 CG MET A 106 14.416 -0.935 -10.208 1.00 0.00 C ATOM 1708 SD MET A 106 14.332 0.787 -10.738 1.00 0.00 S ATOM 1709 CE MET A 106 14.664 0.617 -12.491 1.00 0.00 C ATOM 0 H MET A 106 10.776 -1.072 -7.507 1.00 0.00 H new ATOM 0 HA MET A 106 11.912 -0.390 -9.960 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.947 -0.498 -8.167 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.847 -2.199 -8.578 1.00 0.00 H new ATOM 0 HG2 MET A 106 15.458 -1.210 -10.043 1.00 0.00 H new ATOM 0 HG3 MET A 106 14.040 -1.576 -11.006 1.00 0.00 H new ATOM 0 HE1 MET A 106 14.646 1.600 -12.962 1.00 0.00 H new ATOM 0 HE2 MET A 106 15.645 0.164 -12.633 1.00 0.00 H new ATOM 0 HE3 MET A 106 13.903 -0.017 -12.946 1.00 0.00 H new ATOM 1719 N GLU A 107 11.636 -2.857 -10.692 1.00 0.00 N ATOM 1720 CA GLU A 107 11.098 -4.147 -11.123 1.00 0.00 C ATOM 1721 C GLU A 107 9.571 -4.132 -11.167 1.00 0.00 C ATOM 1722 O GLU A 107 8.938 -5.171 -11.354 1.00 0.00 O ATOM 1723 CB GLU A 107 11.569 -5.258 -10.188 1.00 0.00 C ATOM 1724 CG GLU A 107 13.064 -5.232 -9.912 1.00 0.00 C ATOM 1725 CD GLU A 107 13.821 -6.280 -10.703 1.00 0.00 C ATOM 1726 OE1 GLU A 107 13.385 -6.606 -11.827 1.00 0.00 O ATOM 1727 OE2 GLU A 107 14.851 -6.777 -10.199 1.00 0.00 O ATOM 0 H GLU A 107 12.113 -2.334 -11.426 1.00 0.00 H new ATOM 0 HA GLU A 107 11.469 -4.335 -12.131 1.00 0.00 H new ATOM 0 HB2 GLU A 107 11.033 -5.177 -9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 107 11.305 -6.222 -10.622 1.00 0.00 H new ATOM 0 HG2 GLU A 107 13.457 -4.245 -10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.236 -5.391 -8.847 1.00 0.00 H new ATOM 1734 N ASP A 108 8.984 -2.953 -10.990 1.00 0.00 N ATOM 1735 CA ASP A 108 7.530 -2.804 -11.006 1.00 0.00 C ATOM 1736 C ASP A 108 6.914 -3.518 -12.207 1.00 0.00 C ATOM 1737 O ASP A 108 7.590 -3.771 -13.204 1.00 0.00 O ATOM 1738 CB ASP A 108 7.150 -1.323 -11.031 1.00 0.00 C ATOM 1739 CG ASP A 108 7.871 -0.523 -9.964 1.00 0.00 C ATOM 1740 OD1 ASP A 108 9.118 -0.567 -9.929 1.00 0.00 O ATOM 1741 OD2 ASP A 108 7.187 0.149 -9.163 1.00 0.00 O ATOM 0 H ASP A 108 9.493 -2.083 -10.833 1.00 0.00 H new ATOM 0 HA ASP A 108 7.137 -3.261 -10.098 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.382 -0.908 -12.012 1.00 0.00 H new ATOM 0 HB3 ASP A 108 6.074 -1.224 -10.890 1.00 0.00 H new ATOM 1746 N LYS A 109 5.626 -3.847 -12.090 1.00 0.00 N ATOM 1747 CA LYS A 109 4.885 -4.541 -13.148 1.00 0.00 C ATOM 1748 C LYS A 109 5.061 -6.052 -13.031 1.00 0.00 C ATOM 1749 O LYS A 109 4.107 -6.812 -13.192 1.00 0.00 O ATOM 1750 CB LYS A 109 5.320 -4.069 -14.540 1.00 0.00 C ATOM 1751 CG LYS A 109 5.483 -2.561 -14.649 1.00 0.00 C ATOM 1752 CD LYS A 109 5.027 -2.047 -16.006 1.00 0.00 C ATOM 1753 CE LYS A 109 5.398 -0.586 -16.201 1.00 0.00 C ATOM 1754 NZ LYS A 109 6.869 -0.398 -16.334 1.00 0.00 N ATOM 0 H LYS A 109 5.067 -3.641 -11.262 1.00 0.00 H new ATOM 0 HA LYS A 109 3.830 -4.297 -13.020 1.00 0.00 H new ATOM 0 HB2 LYS A 109 6.265 -4.548 -14.798 1.00 0.00 H new ATOM 0 HB3 LYS A 109 4.584 -4.400 -15.273 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.907 -2.074 -13.862 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.528 -2.295 -14.490 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.481 -2.647 -16.795 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.947 -2.165 -16.097 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.901 -0.201 -17.092 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.033 -0.003 -15.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 7.065 0.550 -16.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 7.317 -0.497 -15.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 7.254 -1.116 -16.981 1.00 0.00 H new ATOM 1768 N GLN A 110 6.285 -6.480 -12.748 1.00 0.00 N ATOM 1769 CA GLN A 110 6.586 -7.896 -12.603 1.00 0.00 C ATOM 1770 C GLN A 110 6.407 -8.343 -11.156 1.00 0.00 C ATOM 1771 O GLN A 110 5.571 -9.196 -10.857 1.00 0.00 O ATOM 1772 CB GLN A 110 8.017 -8.173 -13.066 1.00 0.00 C ATOM 1773 CG GLN A 110 8.095 -8.997 -14.341 1.00 0.00 C ATOM 1774 CD GLN A 110 7.570 -10.408 -14.156 1.00 0.00 C ATOM 1775 OE1 GLN A 110 8.042 -11.151 -13.296 1.00 0.00 O ATOM 1776 NE2 GLN A 110 6.587 -10.784 -14.965 1.00 0.00 N ATOM 0 H GLN A 110 7.087 -5.864 -12.614 1.00 0.00 H new ATOM 0 HA GLN A 110 5.892 -8.463 -13.223 1.00 0.00 H new ATOM 0 HB2 GLN A 110 8.529 -7.224 -13.225 1.00 0.00 H new ATOM 0 HB3 GLN A 110 8.552 -8.695 -12.273 1.00 0.00 H new ATOM 0 HG2 GLN A 110 7.524 -8.501 -15.126 1.00 0.00 H new ATOM 0 HG3 GLN A 110 9.130 -9.040 -14.679 1.00 0.00 H new ATOM 0 HE21 GLN A 110 6.226 -10.135 -15.664 1.00 0.00 H new ATOM 0 HE22 GLN A 110 6.193 -11.722 -14.887 1.00 0.00 H new ATOM 1785 N GLU A 111 7.200 -7.760 -10.262 1.00 0.00 N ATOM 1786 CA GLU A 111 7.130 -8.098 -8.844 1.00 0.00 C ATOM 1787 C GLU A 111 5.786 -7.685 -8.253 1.00 0.00 C ATOM 1788 O GLU A 111 5.204 -8.411 -7.447 1.00 0.00 O ATOM 1789 CB GLU A 111 8.268 -7.417 -8.080 1.00 0.00 C ATOM 1790 CG GLU A 111 8.700 -8.173 -6.834 1.00 0.00 C ATOM 1791 CD GLU A 111 9.954 -8.994 -7.056 1.00 0.00 C ATOM 1792 OE1 GLU A 111 9.985 -9.779 -8.027 1.00 0.00 O ATOM 1793 OE2 GLU A 111 10.906 -8.852 -6.259 1.00 0.00 O ATOM 0 H GLU A 111 7.897 -7.053 -10.494 1.00 0.00 H new ATOM 0 HA GLU A 111 7.232 -9.179 -8.747 1.00 0.00 H new ATOM 0 HB2 GLU A 111 9.125 -7.307 -8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.954 -6.413 -7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 111 8.873 -7.464 -6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.892 -8.830 -6.514 1.00 0.00 H new ATOM 1800 N MET A 112 5.299 -6.517 -8.658 1.00 0.00 N ATOM 1801 CA MET A 112 4.024 -6.010 -8.169 1.00 0.00 C ATOM 1802 C MET A 112 2.895 -6.985 -8.488 1.00 0.00 C ATOM 1803 O MET A 112 2.258 -7.531 -7.587 1.00 0.00 O ATOM 1804 CB MET A 112 3.725 -4.642 -8.788 1.00 0.00 C ATOM 1805 CG MET A 112 4.221 -3.474 -7.950 1.00 0.00 C ATOM 1806 SD MET A 112 2.938 -2.787 -6.887 1.00 0.00 S ATOM 1807 CE MET A 112 2.846 -4.040 -5.611 1.00 0.00 C ATOM 0 H MET A 112 5.769 -5.904 -9.324 1.00 0.00 H new ATOM 0 HA MET A 112 4.093 -5.903 -7.086 1.00 0.00 H new ATOM 0 HB2 MET A 112 4.184 -4.591 -9.775 1.00 0.00 H new ATOM 0 HB3 MET A 112 2.649 -4.545 -8.931 1.00 0.00 H new ATOM 0 HG2 MET A 112 5.059 -3.803 -7.335 1.00 0.00 H new ATOM 0 HG3 MET A 112 4.597 -2.692 -8.610 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.831 -4.433 -5.559 1.00 0.00 H new ATOM 0 HE2 MET A 112 3.537 -4.850 -5.846 1.00 0.00 H new ATOM 0 HE3 MET A 112 3.115 -3.601 -4.650 1.00 0.00 H new ATOM 1817 N VAL A 113 2.655 -7.207 -9.776 1.00 0.00 N ATOM 1818 CA VAL A 113 1.607 -8.123 -10.212 1.00 0.00 C ATOM 1819 C VAL A 113 1.732 -9.470 -9.506 1.00 0.00 C ATOM 1820 O VAL A 113 0.731 -10.109 -9.178 1.00 0.00 O ATOM 1821 CB VAL A 113 1.662 -8.344 -11.738 1.00 0.00 C ATOM 1822 CG1 VAL A 113 0.603 -9.344 -12.180 1.00 0.00 C ATOM 1823 CG2 VAL A 113 1.493 -7.024 -12.474 1.00 0.00 C ATOM 0 H VAL A 113 3.172 -6.765 -10.536 1.00 0.00 H new ATOM 0 HA VAL A 113 0.651 -7.668 -9.952 1.00 0.00 H new ATOM 0 HB VAL A 113 2.640 -8.755 -11.987 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.662 -9.483 -13.260 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.773 -10.298 -11.681 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.385 -8.968 -11.916 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.534 -7.199 -13.549 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.530 -6.584 -12.215 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.293 -6.342 -12.186 1.00 0.00 H new ATOM 1833 N ASP A 114 2.968 -9.896 -9.281 1.00 0.00 N ATOM 1834 CA ASP A 114 3.234 -11.168 -8.620 1.00 0.00 C ATOM 1835 C ASP A 114 2.864 -11.116 -7.139 1.00 0.00 C ATOM 1836 O ASP A 114 2.319 -12.077 -6.596 1.00 0.00 O ATOM 1837 CB ASP A 114 4.708 -11.545 -8.774 1.00 0.00 C ATOM 1838 CG ASP A 114 5.028 -12.080 -10.156 1.00 0.00 C ATOM 1839 OD1 ASP A 114 4.523 -11.510 -11.146 1.00 0.00 O ATOM 1840 OD2 ASP A 114 5.781 -13.073 -10.249 1.00 0.00 O ATOM 0 H ASP A 114 3.805 -9.378 -9.547 1.00 0.00 H new ATOM 0 HA ASP A 114 2.614 -11.927 -9.098 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.326 -10.670 -8.574 1.00 0.00 H new ATOM 0 HB3 ASP A 114 4.968 -12.296 -8.028 1.00 0.00 H new ATOM 1845 N ILE A 115 3.171 -9.998 -6.485 1.00 0.00 N ATOM 1846 CA ILE A 115 2.871 -9.845 -5.065 1.00 0.00 C ATOM 1847 C ILE A 115 1.382 -9.613 -4.828 1.00 0.00 C ATOM 1848 O ILE A 115 0.781 -10.229 -3.949 1.00 0.00 O ATOM 1849 CB ILE A 115 3.691 -8.695 -4.425 1.00 0.00 C ATOM 1850 CG1 ILE A 115 3.980 -9.010 -2.956 1.00 0.00 C ATOM 1851 CG2 ILE A 115 2.974 -7.352 -4.548 1.00 0.00 C ATOM 1852 CD1 ILE A 115 2.732 -9.232 -2.129 1.00 0.00 C ATOM 0 H ILE A 115 3.624 -9.190 -6.913 1.00 0.00 H new ATOM 0 HA ILE A 115 3.158 -10.781 -4.585 1.00 0.00 H new ATOM 0 HB ILE A 115 4.633 -8.616 -4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 115 4.606 -9.900 -2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 115 4.552 -8.190 -2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.581 -6.572 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.819 -7.117 -5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.010 -7.407 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.012 -9.451 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.114 -8.334 -2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.169 -10.071 -2.538 1.00 0.00 H new ATOM 1864 N ILE A 116 0.793 -8.712 -5.609 1.00 0.00 N ATOM 1865 CA ILE A 116 -0.620 -8.395 -5.467 1.00 0.00 C ATOM 1866 C ILE A 116 -1.483 -9.643 -5.626 1.00 0.00 C ATOM 1867 O ILE A 116 -2.560 -9.745 -5.039 1.00 0.00 O ATOM 1868 CB ILE A 116 -1.067 -7.333 -6.492 1.00 0.00 C ATOM 1869 CG1 ILE A 116 -0.172 -6.096 -6.402 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -2.525 -6.956 -6.268 1.00 0.00 C ATOM 1871 CD1 ILE A 116 0.326 -5.615 -7.746 1.00 0.00 C ATOM 0 H ILE A 116 1.272 -8.191 -6.344 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.754 -7.993 -4.463 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.972 -7.756 -7.492 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -0.725 -5.291 -5.919 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.684 -6.321 -5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -2.823 -6.206 -7.000 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -3.151 -7.841 -6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.646 -6.551 -5.263 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.954 -4.735 -7.608 1.00 0.00 H new ATOM 0 HD12 ILE A 116 0.907 -6.405 -8.223 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.524 -5.358 -8.378 1.00 0.00 H new ATOM 1883 N GLU A 117 -1.002 -10.590 -6.425 1.00 0.00 N ATOM 1884 CA GLU A 117 -1.729 -11.831 -6.662 1.00 0.00 C ATOM 1885 C GLU A 117 -1.518 -12.815 -5.515 1.00 0.00 C ATOM 1886 O GLU A 117 -2.383 -13.642 -5.227 1.00 0.00 O ATOM 1887 CB GLU A 117 -1.283 -12.464 -7.980 1.00 0.00 C ATOM 1888 CG GLU A 117 -2.308 -13.414 -8.579 1.00 0.00 C ATOM 1889 CD GLU A 117 -1.668 -14.603 -9.269 1.00 0.00 C ATOM 1890 OE1 GLU A 117 -0.835 -15.280 -8.633 1.00 0.00 O ATOM 1891 OE2 GLU A 117 -2.003 -14.856 -10.446 1.00 0.00 O ATOM 0 H GLU A 117 -0.112 -10.521 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.791 -11.594 -6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.070 -11.673 -8.699 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -0.351 -13.005 -7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -2.972 -13.770 -7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.925 -12.872 -9.295 1.00 0.00 H new ATOM 1898 N THR A 118 -0.364 -12.720 -4.863 1.00 0.00 N ATOM 1899 CA THR A 118 -0.041 -13.601 -3.747 1.00 0.00 C ATOM 1900 C THR A 118 -0.665 -13.091 -2.452 1.00 0.00 C ATOM 1901 O THR A 118 -1.001 -13.874 -1.564 1.00 0.00 O ATOM 1902 CB THR A 118 1.476 -13.718 -3.585 1.00 0.00 C ATOM 1903 OG1 THR A 118 2.096 -13.974 -4.832 1.00 0.00 O ATOM 1904 CG2 THR A 118 1.892 -14.817 -2.631 1.00 0.00 C ATOM 0 H THR A 118 0.363 -12.041 -5.088 1.00 0.00 H new ATOM 0 HA THR A 118 -0.453 -14.586 -3.964 1.00 0.00 H new ATOM 0 HB THR A 118 1.797 -12.761 -3.174 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.094 -13.156 -5.372 1.00 0.00 H new ATOM 0 HG21 THR A 118 2.979 -14.846 -2.562 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.470 -14.622 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.526 -15.776 -2.999 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.817 -11.775 -2.352 1.00 0.00 N ATOM 1913 CA VAL A 119 -1.401 -11.159 -1.167 1.00 0.00 C ATOM 1914 C VAL A 119 -2.909 -11.382 -1.122 1.00 0.00 C ATOM 1915 O VAL A 119 -3.464 -11.763 -0.092 1.00 0.00 O ATOM 1916 CB VAL A 119 -1.086 -9.646 -1.112 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -2.101 -8.820 -1.896 1.00 0.00 C ATOM 1918 CG2 VAL A 119 -1.004 -9.170 0.330 1.00 0.00 C ATOM 0 H VAL A 119 -0.543 -11.114 -3.079 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.953 -11.636 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.116 -9.499 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.840 -7.764 -1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.093 -9.130 -2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.096 -8.975 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -0.782 -8.103 0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.957 -9.351 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.215 -9.714 0.849 1.00 0.00 H new ATOM 1928 N TYR A 120 -3.561 -11.135 -2.250 1.00 0.00 N ATOM 1929 CA TYR A 120 -5.006 -11.302 -2.353 1.00 0.00 C ATOM 1930 C TYR A 120 -5.391 -12.779 -2.264 1.00 0.00 C ATOM 1931 O TYR A 120 -6.461 -13.122 -1.761 1.00 0.00 O ATOM 1932 CB TYR A 120 -5.520 -10.676 -3.660 1.00 0.00 C ATOM 1933 CG TYR A 120 -6.028 -11.673 -4.682 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -5.147 -12.381 -5.488 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -7.389 -11.903 -4.839 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -5.606 -13.290 -6.422 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -7.857 -12.810 -5.770 1.00 0.00 C ATOM 1938 CZ TYR A 120 -6.962 -13.501 -6.559 1.00 0.00 C ATOM 1939 OH TYR A 120 -7.423 -14.407 -7.488 1.00 0.00 O ATOM 0 H TYR A 120 -3.112 -10.818 -3.109 1.00 0.00 H new ATOM 0 HA TYR A 120 -5.476 -10.786 -1.516 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -6.323 -9.979 -3.422 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -4.715 -10.094 -4.109 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -4.084 -12.219 -5.383 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -8.093 -11.364 -4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -4.907 -13.832 -7.041 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -8.918 -12.977 -5.879 1.00 0.00 H new ATOM 0 HH TYR A 120 -8.402 -14.438 -7.457 1.00 0.00 H new ATOM 1949 N ARG A 121 -4.513 -13.646 -2.758 1.00 0.00 N ATOM 1950 CA ARG A 121 -4.762 -15.083 -2.735 1.00 0.00 C ATOM 1951 C ARG A 121 -4.582 -15.646 -1.330 1.00 0.00 C ATOM 1952 O ARG A 121 -5.288 -16.568 -0.924 1.00 0.00 O ATOM 1953 CB ARG A 121 -3.826 -15.801 -3.709 1.00 0.00 C ATOM 1954 CG ARG A 121 -4.386 -15.920 -5.117 1.00 0.00 C ATOM 1955 CD ARG A 121 -3.952 -17.216 -5.781 1.00 0.00 C ATOM 1956 NE ARG A 121 -4.256 -18.383 -4.954 1.00 0.00 N ATOM 1957 CZ ARG A 121 -3.692 -19.577 -5.121 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -2.796 -19.767 -6.082 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -4.024 -20.584 -4.325 1.00 0.00 N ATOM 0 H ARG A 121 -3.623 -13.379 -3.179 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.794 -15.251 -3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.877 -15.266 -3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.613 -16.799 -3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.474 -15.875 -5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.051 -15.073 -5.716 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.451 -17.315 -6.745 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.881 -17.181 -5.979 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.940 -18.276 -4.205 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.537 -18.996 -6.697 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.367 -20.684 -6.205 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -4.712 -20.444 -3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.592 -21.499 -4.453 1.00 0.00 H new ATOM 1973 N GLY A 122 -3.630 -15.084 -0.594 1.00 0.00 N ATOM 1974 CA GLY A 122 -3.372 -15.542 0.759 1.00 0.00 C ATOM 1975 C GLY A 122 -4.214 -14.814 1.787 1.00 0.00 C ATOM 1976 O GLY A 122 -4.732 -15.425 2.721 1.00 0.00 O ATOM 0 H GLY A 122 -3.032 -14.320 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.572 -16.612 0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -2.317 -15.401 0.992 1.00 0.00 H new ATOM 1980 N ALA A 123 -4.350 -13.503 1.616 1.00 0.00 N ATOM 1981 CA ALA A 123 -5.134 -12.689 2.534 1.00 0.00 C ATOM 1982 C ALA A 123 -6.611 -12.699 2.152 1.00 0.00 C ATOM 1983 O ALA A 123 -7.213 -11.649 1.924 1.00 0.00 O ATOM 1984 CB ALA A 123 -4.599 -11.264 2.560 1.00 0.00 C ATOM 0 H ALA A 123 -3.926 -12.982 0.848 1.00 0.00 H new ATOM 0 HA ALA A 123 -5.044 -13.117 3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -5.193 -10.665 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -3.560 -11.271 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -4.661 -10.834 1.560 1.00 0.00 H new ATOM 1990 N ARG A 124 -7.191 -13.893 2.084 1.00 0.00 N ATOM 1991 CA ARG A 124 -8.598 -14.041 1.731 1.00 0.00 C ATOM 1992 C ARG A 124 -9.454 -14.251 2.975 1.00 0.00 C ATOM 1993 O ARG A 124 -10.592 -13.789 3.043 1.00 0.00 O ATOM 1994 CB ARG A 124 -8.781 -15.216 0.768 1.00 0.00 C ATOM 1995 CG ARG A 124 -7.985 -15.078 -0.520 1.00 0.00 C ATOM 1996 CD ARG A 124 -8.208 -16.266 -1.442 1.00 0.00 C ATOM 1997 NE ARG A 124 -9.245 -16.000 -2.436 1.00 0.00 N ATOM 1998 CZ ARG A 124 -9.857 -16.950 -3.141 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -9.538 -18.226 -2.964 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -10.789 -16.622 -4.024 1.00 0.00 N ATOM 0 H ARG A 124 -6.708 -14.772 2.269 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.922 -13.123 1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.485 -16.137 1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.839 -15.313 0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.274 -14.160 -1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.924 -14.992 -0.286 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -7.275 -16.512 -1.949 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.488 -17.137 -0.850 1.00 0.00 H new ATOM 0 HE ARG A 124 -9.516 -15.030 -2.600 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -8.821 -18.483 -2.285 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.010 -18.950 -3.506 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -11.037 -15.643 -4.163 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -11.258 -17.349 -4.564 1.00 0.00 H new