USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 863 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 59 SER OG : rot 180:sc= 0.203 USER MOD Set 1.2: A 103 THR OG1 : rot -72:sc= 0.212 USER MOD Set 2.1: A 5 LYS NZ :NH3+ 174:sc= 0.789 (180deg=0) USER MOD Set 2.2: A 24 GLN : amide:sc= 0.703 K(o=1.5,f=-1.6) USER MOD Set 3.1: A 17 LYS NZ :NH3+ -160:sc= 0.138 (180deg=0) USER MOD Set 3.2: A 19 TYR OH : rot 165:sc= 0.132 USER MOD Set 4.1: A 13 THR OG1 : rot 180:sc= 0.518 USER MOD Set 4.2: A 18 THR OG1 : rot -73:sc= 0.561 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.216 K(o=-0.22,f=-1) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 167:sc= 0.879 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= 0.432 (180deg=0.395) USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0605) USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0537) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0468 K(o=-0.047,f=-1.6!) USER MOD Single : A 45 MET CE :methyl -147:sc= -0.384 (180deg=-0.509) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.719 K(o=-0.72,f=-4.3!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -179:sc= 0.912 (180deg=0.911) USER MOD Single : A 82 ASN : amide:sc=-0.00759 X(o=-0.0076,f=0.016) USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 0.672 (180deg=0.671) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0113 K(o=-0.011,f=-0.99) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 1.85 K(o=1.8,f=-5.7!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 61:sc= 0.795 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 13.951 8.885 0.977 1.00 0.00 N ATOM 61 CA LYS A 5 12.843 8.466 1.855 1.00 0.00 C ATOM 62 C LYS A 5 11.513 8.770 1.139 1.00 0.00 C ATOM 63 O LYS A 5 11.382 9.816 0.490 1.00 0.00 O ATOM 64 CB LYS A 5 12.906 9.178 3.208 1.00 0.00 C ATOM 65 CG LYS A 5 11.795 8.792 4.174 1.00 0.00 C ATOM 66 CD LYS A 5 12.097 9.272 5.585 1.00 0.00 C ATOM 67 CE LYS A 5 11.822 10.761 5.736 1.00 0.00 C ATOM 68 NZ LYS A 5 11.924 11.207 7.152 1.00 0.00 N ATOM 0 HA LYS A 5 12.923 7.397 2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.867 8.962 3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.868 10.254 3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.851 9.221 3.836 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.671 7.709 4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.490 8.714 6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.140 9.067 5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.530 11.324 5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.825 10.986 5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.830 12.242 7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.166 10.766 7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.847 10.926 7.539 1.00 0.00 H new ATOM 82 N VAL A 6 10.549 7.856 1.260 1.00 0.00 N ATOM 83 CA VAL A 6 9.189 8.031 0.723 1.00 0.00 C ATOM 84 C VAL A 6 8.155 7.838 1.844 1.00 0.00 C ATOM 85 O VAL A 6 8.339 6.984 2.712 1.00 0.00 O ATOM 86 CB VAL A 6 8.893 7.045 -0.422 1.00 0.00 C ATOM 87 CG1 VAL A 6 9.148 5.614 0.027 1.00 0.00 C ATOM 88 CG2 VAL A 6 7.458 7.203 -0.903 1.00 0.00 C ATOM 0 H VAL A 6 10.686 6.965 1.736 1.00 0.00 H new ATOM 0 HA VAL A 6 9.122 9.043 0.323 1.00 0.00 H new ATOM 0 HB VAL A 6 9.563 7.271 -1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.934 4.931 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.191 5.507 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.502 5.378 0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.266 6.499 -1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.774 7.004 -0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.305 8.220 -1.263 1.00 0.00 H new ATOM 98 N GLU A 7 7.071 8.636 1.832 1.00 0.00 N ATOM 99 CA GLU A 7 5.978 8.494 2.805 1.00 0.00 C ATOM 100 C GLU A 7 4.822 7.757 2.112 1.00 0.00 C ATOM 101 O GLU A 7 4.505 8.018 0.948 1.00 0.00 O ATOM 102 CB GLU A 7 5.519 9.854 3.335 1.00 0.00 C ATOM 103 CG GLU A 7 6.519 10.539 4.255 1.00 0.00 C ATOM 104 CD GLU A 7 5.969 11.831 4.794 1.00 0.00 C ATOM 105 OE1 GLU A 7 4.883 12.197 4.413 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.582 12.395 5.668 1.00 0.00 O ATOM 0 H GLU A 7 6.931 9.387 1.156 1.00 0.00 H new ATOM 0 HA GLU A 7 6.326 7.925 3.667 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.314 10.510 2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.580 9.723 3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.770 9.875 5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.443 10.733 3.711 1.00 0.00 H new ATOM 113 N VAL A 8 4.233 6.811 2.837 1.00 0.00 N ATOM 114 CA VAL A 8 3.116 5.984 2.369 1.00 0.00 C ATOM 115 C VAL A 8 1.919 6.184 3.316 1.00 0.00 C ATOM 116 O VAL A 8 2.053 5.970 4.512 1.00 0.00 O ATOM 117 CB VAL A 8 3.488 4.490 2.306 1.00 0.00 C ATOM 118 CG1 VAL A 8 2.282 3.658 1.894 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.642 4.267 1.341 1.00 0.00 C ATOM 0 H VAL A 8 4.523 6.590 3.790 1.00 0.00 H new ATOM 0 HA VAL A 8 2.860 6.296 1.356 1.00 0.00 H new ATOM 0 HB VAL A 8 3.804 4.172 3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.562 2.605 1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.481 3.793 2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.937 3.979 0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.890 3.206 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.353 4.601 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.511 4.833 1.676 1.00 0.00 H new ATOM 129 N GLN A 9 0.770 6.638 2.786 1.00 0.00 N ATOM 130 CA GLN A 9 -0.455 6.815 3.592 1.00 0.00 C ATOM 131 C GLN A 9 -1.468 5.732 3.213 1.00 0.00 C ATOM 132 O GLN A 9 -1.891 5.657 2.064 1.00 0.00 O ATOM 133 CB GLN A 9 -1.066 8.203 3.374 1.00 0.00 C ATOM 134 CG GLN A 9 -2.295 8.481 4.222 1.00 0.00 C ATOM 135 CD GLN A 9 -2.805 9.900 4.054 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.226 10.698 3.313 1.00 0.00 O ATOM 137 NE2 GLN A 9 -3.891 10.224 4.747 1.00 0.00 N ATOM 0 H GLN A 9 0.662 6.890 1.803 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.194 6.726 4.647 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.311 8.958 3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.332 8.310 2.322 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.085 7.780 3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.057 8.305 5.271 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.338 9.532 5.348 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.278 11.165 4.678 1.00 0.00 H new ATOM 146 N VAL A 10 -1.844 4.892 4.188 1.00 0.00 N ATOM 147 CA VAL A 10 -2.719 3.730 3.957 1.00 0.00 C ATOM 148 C VAL A 10 -4.072 3.999 4.628 1.00 0.00 C ATOM 149 O VAL A 10 -4.123 4.260 5.829 1.00 0.00 O ATOM 150 CB VAL A 10 -2.115 2.424 4.508 1.00 0.00 C ATOM 151 CG1 VAL A 10 -3.059 1.256 4.261 1.00 0.00 C ATOM 152 CG2 VAL A 10 -0.759 2.154 3.874 1.00 0.00 C ATOM 0 H VAL A 10 -1.551 4.998 5.159 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.837 3.598 2.881 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.976 2.536 5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.617 0.341 4.656 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.010 1.445 4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.227 1.144 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.348 1.228 4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.874 2.062 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.082 2.978 4.098 1.00 0.00 H new ATOM 162 N LYS A 11 -5.156 3.973 3.832 1.00 0.00 N ATOM 163 CA LYS A 11 -6.519 4.194 4.326 1.00 0.00 C ATOM 164 C LYS A 11 -7.357 2.939 4.024 1.00 0.00 C ATOM 165 O LYS A 11 -7.512 2.579 2.866 1.00 0.00 O ATOM 166 CB LYS A 11 -7.147 5.433 3.685 1.00 0.00 C ATOM 167 CG LYS A 11 -8.561 5.739 4.159 1.00 0.00 C ATOM 168 CD LYS A 11 -9.161 6.908 3.393 1.00 0.00 C ATOM 169 CE LYS A 11 -10.525 7.293 3.947 1.00 0.00 C ATOM 170 NZ LYS A 11 -11.133 8.423 3.194 1.00 0.00 N ATOM 0 H LYS A 11 -5.107 3.798 2.828 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.490 4.370 5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.513 6.295 3.892 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.160 5.300 2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.189 4.857 4.030 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.548 5.968 5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.489 7.765 3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.256 6.645 2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.190 6.430 3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.425 7.569 4.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.061 8.654 3.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.511 9.255 3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.252 8.152 2.197 1.00 0.00 H new ATOM 184 N ILE A 12 -7.874 2.266 5.062 1.00 0.00 N ATOM 185 CA ILE A 12 -8.682 1.030 4.908 1.00 0.00 C ATOM 186 C ILE A 12 -10.029 1.188 5.650 1.00 0.00 C ATOM 187 O ILE A 12 -10.078 1.605 6.810 1.00 0.00 O ATOM 188 CB ILE A 12 -7.944 -0.211 5.445 1.00 0.00 C ATOM 189 CG1 ILE A 12 -8.793 -1.467 5.238 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.603 -0.032 6.916 1.00 0.00 C ATOM 191 CD1 ILE A 12 -8.038 -2.758 5.458 1.00 0.00 C ATOM 0 H ILE A 12 -7.749 2.555 6.032 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.856 0.882 3.842 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.014 -0.329 4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.644 -1.435 5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.194 -1.460 4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.082 -0.918 7.279 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.962 0.841 7.037 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.520 0.109 7.488 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.706 -3.603 5.293 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.203 -2.814 4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.660 -2.789 6.480 1.00 0.00 H new ATOM 203 N THR A 13 -11.124 0.884 4.943 1.00 0.00 N ATOM 204 CA THR A 13 -12.489 1.015 5.472 1.00 0.00 C ATOM 205 C THR A 13 -13.183 -0.363 5.568 1.00 0.00 C ATOM 206 O THR A 13 -13.176 -1.143 4.601 1.00 0.00 O ATOM 207 CB THR A 13 -13.342 1.953 4.597 1.00 0.00 C ATOM 208 OG1 THR A 13 -12.745 3.256 4.567 1.00 0.00 O ATOM 209 CG2 THR A 13 -14.755 2.059 5.150 1.00 0.00 C ATOM 0 H THR A 13 -11.089 0.539 3.984 1.00 0.00 H new ATOM 0 HA THR A 13 -12.404 1.444 6.471 1.00 0.00 H new ATOM 0 HB THR A 13 -13.388 1.543 3.588 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.287 3.852 4.009 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.343 2.726 4.519 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.216 1.071 5.163 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.720 2.456 6.164 1.00 0.00 H new ATOM 217 N CYS A 14 -13.764 -0.642 6.754 1.00 0.00 N ATOM 218 CA CYS A 14 -14.672 -1.775 6.982 1.00 0.00 C ATOM 219 C CYS A 14 -15.673 -1.473 8.119 1.00 0.00 C ATOM 220 O CYS A 14 -15.372 -0.691 9.032 1.00 0.00 O ATOM 221 CB CYS A 14 -13.890 -3.064 7.311 1.00 0.00 C ATOM 222 SG CYS A 14 -14.920 -4.338 8.101 1.00 0.00 S ATOM 0 H CYS A 14 -13.610 -0.076 7.588 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.227 -1.928 6.057 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.463 -3.468 6.393 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -13.057 -2.819 7.969 1.00 0.00 H new ATOM 227 N ASN A 15 -16.872 -2.107 8.025 1.00 0.00 N ATOM 228 CA ASN A 15 -17.948 -2.060 9.045 1.00 0.00 C ATOM 229 C ASN A 15 -18.337 -0.624 9.436 1.00 0.00 C ATOM 230 O ASN A 15 -18.710 -0.351 10.584 1.00 0.00 O ATOM 231 CB ASN A 15 -17.559 -2.838 10.290 1.00 0.00 C ATOM 232 CG ASN A 15 -18.727 -3.213 11.159 1.00 0.00 C ATOM 233 OD1 ASN A 15 -19.849 -3.408 10.677 1.00 0.00 O ATOM 234 ND2 ASN A 15 -18.489 -3.232 12.447 1.00 0.00 N ATOM 0 H ASN A 15 -17.121 -2.678 7.217 1.00 0.00 H new ATOM 0 HA ASN A 15 -18.819 -2.526 8.583 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.034 -3.745 9.991 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.859 -2.243 10.875 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -19.248 -3.414 13.103 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -17.544 -3.065 12.794 1.00 0.00 H new ATOM 241 N GLY A 16 -18.272 0.292 8.452 1.00 0.00 N ATOM 242 CA GLY A 16 -18.609 1.701 8.668 1.00 0.00 C ATOM 243 C GLY A 16 -17.500 2.505 9.330 1.00 0.00 C ATOM 244 O GLY A 16 -17.675 3.698 9.589 1.00 0.00 O ATOM 0 H GLY A 16 -17.987 0.074 7.497 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.852 2.158 7.709 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.505 1.760 9.285 1.00 0.00 H new ATOM 248 N LYS A 17 -16.354 1.858 9.606 1.00 0.00 N ATOM 249 CA LYS A 17 -15.196 2.505 10.255 1.00 0.00 C ATOM 250 C LYS A 17 -13.998 2.535 9.303 1.00 0.00 C ATOM 251 O LYS A 17 -13.781 1.601 8.533 1.00 0.00 O ATOM 252 CB LYS A 17 -14.822 1.782 11.549 1.00 0.00 C ATOM 253 CG LYS A 17 -15.929 1.749 12.595 1.00 0.00 C ATOM 254 CD LYS A 17 -15.501 0.971 13.830 1.00 0.00 C ATOM 255 CE LYS A 17 -14.510 1.762 14.669 1.00 0.00 C ATOM 256 NZ LYS A 17 -14.047 0.994 15.857 1.00 0.00 N ATOM 0 H LYS A 17 -16.203 0.873 9.387 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.475 3.529 10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.535 0.758 11.309 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.946 2.265 11.981 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -16.195 2.767 12.878 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -16.822 1.294 12.168 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -16.377 0.729 14.431 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -15.051 0.025 13.528 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.651 2.033 14.055 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.974 2.692 14.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.660 1.650 16.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.848 0.474 16.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.308 0.321 15.569 1.00 0.00 H new ATOM 270 N THR A 18 -13.229 3.626 9.381 1.00 0.00 N ATOM 271 CA THR A 18 -12.027 3.843 8.575 1.00 0.00 C ATOM 272 C THR A 18 -10.811 3.881 9.508 1.00 0.00 C ATOM 273 O THR A 18 -10.819 4.578 10.530 1.00 0.00 O ATOM 274 CB THR A 18 -12.101 5.148 7.763 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.205 5.085 6.851 1.00 0.00 O ATOM 276 CG2 THR A 18 -10.814 5.364 6.980 1.00 0.00 C ATOM 0 H THR A 18 -13.430 4.396 10.019 1.00 0.00 H new ATOM 0 HA THR A 18 -11.941 3.024 7.861 1.00 0.00 H new ATOM 0 HB THR A 18 -12.238 5.980 8.454 1.00 0.00 H new ATOM 0 HG1 THR A 18 -12.991 4.468 6.121 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.885 6.292 6.412 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.973 5.425 7.671 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.660 4.530 6.295 1.00 0.00 H new ATOM 284 N TYR A 19 -9.779 3.108 9.154 1.00 0.00 N ATOM 285 CA TYR A 19 -8.472 3.136 9.820 1.00 0.00 C ATOM 286 C TYR A 19 -7.431 3.644 8.821 1.00 0.00 C ATOM 287 O TYR A 19 -7.223 3.038 7.770 1.00 0.00 O ATOM 288 CB TYR A 19 -8.130 1.710 10.328 1.00 0.00 C ATOM 289 CG TYR A 19 -9.203 1.134 11.269 1.00 0.00 C ATOM 290 CD1 TYR A 19 -9.177 1.393 12.637 1.00 0.00 C ATOM 291 CD2 TYR A 19 -10.268 0.370 10.770 1.00 0.00 C ATOM 292 CE1 TYR A 19 -10.166 0.909 13.473 1.00 0.00 C ATOM 293 CE2 TYR A 19 -11.251 -0.119 11.603 1.00 0.00 C ATOM 294 CZ TYR A 19 -11.199 0.154 12.953 1.00 0.00 C ATOM 295 OH TYR A 19 -12.196 -0.319 13.784 1.00 0.00 O ATOM 0 H TYR A 19 -9.828 2.437 8.387 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.483 3.805 10.681 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.009 1.045 9.473 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.173 1.736 10.849 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.372 1.981 13.051 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.319 0.161 9.712 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.131 1.121 14.531 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -12.058 -0.713 11.200 1.00 0.00 H new ATOM 0 HH TYR A 19 -12.958 -0.617 13.244 1.00 0.00 H new ATOM 305 N GLU A 20 -6.808 4.782 9.148 1.00 0.00 N ATOM 306 CA GLU A 20 -5.844 5.453 8.262 1.00 0.00 C ATOM 307 C GLU A 20 -4.621 5.915 9.063 1.00 0.00 C ATOM 308 O GLU A 20 -4.745 6.329 10.223 1.00 0.00 O ATOM 309 CB GLU A 20 -6.494 6.643 7.553 1.00 0.00 C ATOM 310 CG GLU A 20 -6.980 7.742 8.488 1.00 0.00 C ATOM 311 CD GLU A 20 -7.656 8.846 7.724 1.00 0.00 C ATOM 312 OE1 GLU A 20 -7.801 8.718 6.532 1.00 0.00 O ATOM 313 OE2 GLU A 20 -8.129 9.768 8.347 1.00 0.00 O ATOM 0 H GLU A 20 -6.956 5.265 10.034 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.520 4.739 7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.776 7.070 6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.338 6.283 6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.674 7.323 9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.136 8.147 9.047 1.00 0.00 H new ATOM 320 N ARG A 21 -3.435 5.807 8.436 1.00 0.00 N ATOM 321 CA ARG A 21 -2.164 6.246 9.039 1.00 0.00 C ATOM 322 C ARG A 21 -1.117 6.504 7.931 1.00 0.00 C ATOM 323 O ARG A 21 -1.056 5.767 6.948 1.00 0.00 O ATOM 324 CB ARG A 21 -1.650 5.271 10.088 1.00 0.00 C ATOM 325 CG ARG A 21 -0.483 5.781 10.919 1.00 0.00 C ATOM 326 CD ARG A 21 -0.113 4.904 12.059 1.00 0.00 C ATOM 327 NE ARG A 21 0.964 5.418 12.889 1.00 0.00 N ATOM 328 CZ ARG A 21 1.157 5.089 14.181 1.00 0.00 C ATOM 329 NH1 ARG A 21 0.330 4.280 14.805 1.00 0.00 N ATOM 330 NH2 ARG A 21 2.189 5.621 14.814 1.00 0.00 N ATOM 0 H ARG A 21 -3.331 5.414 7.500 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.349 7.181 9.568 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.470 5.016 10.759 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.347 4.350 9.590 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.385 5.899 10.270 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.731 6.771 11.303 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.993 4.749 12.683 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.178 3.928 11.671 1.00 0.00 H new ATOM 0 HE ARG A 21 1.619 6.074 12.463 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.473 3.891 14.311 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.491 4.041 15.784 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.813 6.262 14.324 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.361 5.391 15.793 1.00 0.00 H new ATOM 344 N THR A 22 -0.320 7.578 8.107 1.00 0.00 N ATOM 345 CA THR A 22 0.822 7.912 7.244 1.00 0.00 C ATOM 346 C THR A 22 2.128 7.341 7.860 1.00 0.00 C ATOM 347 O THR A 22 2.389 7.520 9.054 1.00 0.00 O ATOM 348 CB THR A 22 0.963 9.433 7.050 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.222 9.949 6.429 1.00 0.00 O ATOM 350 CG2 THR A 22 2.167 9.749 6.176 1.00 0.00 C ATOM 0 H THR A 22 -0.458 8.245 8.866 1.00 0.00 H new ATOM 0 HA THR A 22 0.645 7.464 6.266 1.00 0.00 H new ATOM 0 HB THR A 22 1.103 9.898 8.026 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.132 10.917 6.307 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.251 10.828 6.049 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.071 9.367 6.650 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.042 9.278 5.201 1.00 0.00 H new ATOM 358 N TYR A 23 2.909 6.626 7.030 1.00 0.00 N ATOM 359 CA TYR A 23 4.141 5.917 7.439 1.00 0.00 C ATOM 360 C TYR A 23 5.330 6.538 6.700 1.00 0.00 C ATOM 361 O TYR A 23 5.189 6.933 5.547 1.00 0.00 O ATOM 362 CB TYR A 23 4.048 4.419 7.142 1.00 0.00 C ATOM 363 CG TYR A 23 2.906 3.724 7.850 1.00 0.00 C ATOM 364 CD1 TYR A 23 1.643 3.667 7.278 1.00 0.00 C ATOM 365 CD2 TYR A 23 3.095 3.125 9.085 1.00 0.00 C ATOM 366 CE1 TYR A 23 0.596 3.034 7.921 1.00 0.00 C ATOM 367 CE2 TYR A 23 2.056 2.488 9.737 1.00 0.00 C ATOM 368 CZ TYR A 23 0.807 2.444 9.150 1.00 0.00 C ATOM 369 OH TYR A 23 -0.230 1.811 9.794 1.00 0.00 O ATOM 0 H TYR A 23 2.700 6.521 6.037 1.00 0.00 H new ATOM 0 HA TYR A 23 4.274 6.023 8.516 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.936 4.278 6.067 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.985 3.942 7.430 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.475 4.125 6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.071 3.156 9.546 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.382 3.001 7.464 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.220 2.027 10.700 1.00 0.00 H new ATOM 0 HH TYR A 23 0.124 1.272 10.532 1.00 0.00 H new ATOM 379 N GLN A 24 6.495 6.604 7.352 1.00 0.00 N ATOM 380 CA GLN A 24 7.750 6.999 6.688 1.00 0.00 C ATOM 381 C GLN A 24 8.583 5.732 6.432 1.00 0.00 C ATOM 382 O GLN A 24 9.003 5.051 7.370 1.00 0.00 O ATOM 383 CB GLN A 24 8.541 7.994 7.541 1.00 0.00 C ATOM 384 CG GLN A 24 7.836 9.321 7.763 1.00 0.00 C ATOM 385 CD GLN A 24 8.662 10.283 8.597 1.00 0.00 C ATOM 386 OE1 GLN A 24 9.839 10.035 8.872 1.00 0.00 O ATOM 387 NE2 GLN A 24 8.046 11.386 9.010 1.00 0.00 N ATOM 0 H GLN A 24 6.599 6.389 8.344 1.00 0.00 H new ATOM 0 HA GLN A 24 7.518 7.494 5.745 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.750 7.540 8.510 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.502 8.182 7.063 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.615 9.778 6.798 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.881 9.144 8.257 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.071 11.550 8.759 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.548 12.068 9.578 1.00 0.00 H new ATOM 396 N LEU A 25 8.805 5.430 5.144 1.00 0.00 N ATOM 397 CA LEU A 25 9.579 4.268 4.685 1.00 0.00 C ATOM 398 C LEU A 25 10.900 4.742 4.064 1.00 0.00 C ATOM 399 O LEU A 25 10.904 5.335 2.983 1.00 0.00 O ATOM 400 CB LEU A 25 8.756 3.437 3.642 1.00 0.00 C ATOM 401 CG LEU A 25 7.338 2.954 4.083 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.745 1.956 3.061 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.361 2.349 5.502 1.00 0.00 C ATOM 0 H LEU A 25 8.444 5.998 4.378 1.00 0.00 H new ATOM 0 HA LEU A 25 9.794 3.626 5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.644 4.040 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.343 2.560 3.368 1.00 0.00 H new ATOM 0 HG LEU A 25 6.689 3.829 4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.758 1.637 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.661 2.439 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.398 1.087 2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.357 2.024 5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.037 1.494 5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.705 3.101 6.213 1.00 0.00 H new ATOM 415 N TYR A 26 12.010 4.532 4.784 1.00 0.00 N ATOM 416 CA TYR A 26 13.325 5.073 4.399 1.00 0.00 C ATOM 417 C TYR A 26 14.236 3.913 3.989 1.00 0.00 C ATOM 418 O TYR A 26 14.709 3.168 4.848 1.00 0.00 O ATOM 419 CB TYR A 26 13.954 5.869 5.544 1.00 0.00 C ATOM 420 CG TYR A 26 15.115 6.741 5.119 1.00 0.00 C ATOM 421 CD1 TYR A 26 15.524 6.788 3.794 1.00 0.00 C ATOM 422 CD2 TYR A 26 15.798 7.518 6.044 1.00 0.00 C ATOM 423 CE1 TYR A 26 16.583 7.581 3.401 1.00 0.00 C ATOM 424 CE2 TYR A 26 16.858 8.317 5.662 1.00 0.00 C ATOM 425 CZ TYR A 26 17.248 8.346 4.339 1.00 0.00 C ATOM 426 OH TYR A 26 18.304 9.139 3.952 1.00 0.00 O ATOM 0 H TYR A 26 12.025 3.986 5.645 1.00 0.00 H new ATOM 0 HA TYR A 26 13.197 5.757 3.560 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.189 6.497 6.000 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.296 5.175 6.311 1.00 0.00 H new ATOM 0 HD1 TYR A 26 15.004 6.193 3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 26 15.495 7.498 7.081 1.00 0.00 H new ATOM 0 HE1 TYR A 26 16.890 7.603 2.366 1.00 0.00 H new ATOM 0 HE2 TYR A 26 17.379 8.916 6.395 1.00 0.00 H new ATOM 0 HH TYR A 26 18.660 9.613 4.732 1.00 0.00 H new ATOM 436 N ALA A 27 14.508 3.805 2.687 1.00 0.00 N ATOM 437 CA ALA A 27 15.173 2.643 2.080 1.00 0.00 C ATOM 438 C ALA A 27 16.020 3.102 0.896 1.00 0.00 C ATOM 439 O ALA A 27 15.611 3.998 0.162 1.00 0.00 O ATOM 440 CB ALA A 27 14.123 1.637 1.615 1.00 0.00 C ATOM 0 H ALA A 27 14.270 4.532 2.012 1.00 0.00 H new ATOM 0 HA ALA A 27 15.819 2.166 2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.618 0.776 1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.530 1.309 2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.471 2.106 0.879 1.00 0.00 H new ATOM 446 N VAL A 28 17.202 2.488 0.720 1.00 0.00 N ATOM 447 CA VAL A 28 18.089 2.781 -0.424 1.00 0.00 C ATOM 448 C VAL A 28 17.582 2.062 -1.693 1.00 0.00 C ATOM 449 O VAL A 28 17.362 2.686 -2.741 1.00 0.00 O ATOM 450 CB VAL A 28 19.541 2.354 -0.143 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.374 2.430 -1.414 1.00 0.00 C ATOM 452 CG2 VAL A 28 20.152 3.225 0.944 1.00 0.00 C ATOM 0 H VAL A 28 17.569 1.782 1.358 1.00 0.00 H new ATOM 0 HA VAL A 28 18.073 3.860 -0.579 1.00 0.00 H new ATOM 0 HB VAL A 28 19.534 1.321 0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.398 2.125 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 28 19.950 1.767 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 28 20.372 3.453 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 28 21.179 2.909 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 28 20.146 4.266 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.570 3.125 1.860 1.00 0.00 H new ATOM 462 N ARG A 29 17.388 0.741 -1.581 1.00 0.00 N ATOM 463 CA ARG A 29 17.046 -0.128 -2.723 1.00 0.00 C ATOM 464 C ARG A 29 15.537 -0.377 -2.764 1.00 0.00 C ATOM 465 O ARG A 29 14.852 -0.305 -1.735 1.00 0.00 O ATOM 466 CB ARG A 29 17.828 -1.433 -2.721 1.00 0.00 C ATOM 467 CG ARG A 29 19.335 -1.276 -2.860 1.00 0.00 C ATOM 468 CD ARG A 29 20.081 -2.559 -2.925 1.00 0.00 C ATOM 469 NE ARG A 29 21.527 -2.415 -2.938 1.00 0.00 N ATOM 470 CZ ARG A 29 22.399 -3.442 -2.937 1.00 0.00 C ATOM 471 NH1 ARG A 29 21.978 -4.687 -2.885 1.00 0.00 N ATOM 472 NH2 ARG A 29 23.690 -3.166 -2.966 1.00 0.00 N ATOM 0 H ARG A 29 17.463 0.241 -0.695 1.00 0.00 H new ATOM 0 HA ARG A 29 17.338 0.396 -3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.617 -1.965 -1.793 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.466 -2.058 -3.537 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.547 -0.700 -3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.707 -0.695 -2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.797 -3.173 -2.070 1.00 0.00 H new ATOM 0 HD3 ARG A 29 19.774 -3.098 -3.821 1.00 0.00 H new ATOM 0 HE ARG A 29 21.909 -1.469 -2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.978 -4.886 -2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 29 22.651 -5.453 -2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 29 24.004 -2.196 -2.988 1.00 0.00 H new ATOM 0 HH22 ARG A 29 24.374 -3.923 -2.966 1.00 0.00 H new ATOM 486 N ASP A 30 15.044 -0.700 -3.964 1.00 0.00 N ATOM 487 CA ASP A 30 13.627 -0.990 -4.209 1.00 0.00 C ATOM 488 C ASP A 30 13.175 -2.185 -3.339 1.00 0.00 C ATOM 489 O ASP A 30 12.083 -2.164 -2.776 1.00 0.00 O ATOM 490 CB ASP A 30 13.382 -1.281 -5.692 1.00 0.00 C ATOM 491 CG ASP A 30 13.432 -0.053 -6.591 1.00 0.00 C ATOM 492 OD1 ASP A 30 13.424 1.038 -6.073 1.00 0.00 O ATOM 493 OD2 ASP A 30 13.637 -0.214 -7.771 1.00 0.00 O ATOM 0 H ASP A 30 15.623 -0.768 -4.801 1.00 0.00 H new ATOM 0 HA ASP A 30 13.039 -0.114 -3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.126 -1.999 -6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.407 -1.756 -5.800 1.00 0.00 H new ATOM 498 N GLU A 31 14.066 -3.203 -3.214 1.00 0.00 N ATOM 499 CA GLU A 31 13.813 -4.444 -2.450 1.00 0.00 C ATOM 500 C GLU A 31 13.636 -4.156 -0.945 1.00 0.00 C ATOM 501 O GLU A 31 12.822 -4.800 -0.268 1.00 0.00 O ATOM 502 CB GLU A 31 14.953 -5.443 -2.660 1.00 0.00 C ATOM 503 CG GLU A 31 15.027 -6.026 -4.064 1.00 0.00 C ATOM 504 CD GLU A 31 13.751 -6.734 -4.430 1.00 0.00 C ATOM 505 OE1 GLU A 31 13.308 -7.554 -3.663 1.00 0.00 O ATOM 506 OE2 GLU A 31 13.160 -6.375 -5.421 1.00 0.00 O ATOM 0 H GLU A 31 14.989 -3.181 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 31 12.884 -4.876 -2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.898 -4.950 -2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.841 -6.259 -1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.222 -5.229 -4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.863 -6.723 -4.127 1.00 0.00 H new ATOM 513 N GLU A 32 14.401 -3.170 -0.438 1.00 0.00 N ATOM 514 CA GLU A 32 14.354 -2.775 0.976 1.00 0.00 C ATOM 515 C GLU A 32 12.965 -2.186 1.323 1.00 0.00 C ATOM 516 O GLU A 32 12.435 -2.446 2.394 1.00 0.00 O ATOM 517 CB GLU A 32 15.459 -1.763 1.289 1.00 0.00 C ATOM 518 CG GLU A 32 16.872 -2.306 1.132 1.00 0.00 C ATOM 519 CD GLU A 32 17.897 -1.288 1.547 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.815 -0.171 1.097 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.697 -1.595 2.401 1.00 0.00 O ATOM 0 H GLU A 32 15.063 -2.631 -0.996 1.00 0.00 H new ATOM 0 HA GLU A 32 14.518 -3.661 1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.340 -0.899 0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 32 15.331 -1.408 2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.987 -3.207 1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.041 -2.593 0.094 1.00 0.00 H new ATOM 528 N LEU A 33 12.379 -1.429 0.369 1.00 0.00 N ATOM 529 CA LEU A 33 11.072 -0.750 0.546 1.00 0.00 C ATOM 530 C LEU A 33 9.922 -1.796 0.580 1.00 0.00 C ATOM 531 O LEU A 33 9.005 -1.679 1.388 1.00 0.00 O ATOM 532 CB LEU A 33 10.852 0.304 -0.599 1.00 0.00 C ATOM 533 CG LEU A 33 9.982 1.583 -0.266 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.521 1.259 0.113 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.645 2.448 0.832 1.00 0.00 C ATOM 0 H LEU A 33 12.798 -1.270 -0.547 1.00 0.00 H new ATOM 0 HA LEU A 33 11.070 -0.220 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.832 0.643 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.386 -0.208 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 33 9.942 2.155 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.987 2.185 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.036 0.744 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.507 0.619 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.021 3.318 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.755 1.859 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.627 2.777 0.492 1.00 0.00 H new ATOM 547 N LYS A 34 10.018 -2.820 -0.289 1.00 0.00 N ATOM 548 CA LYS A 34 8.936 -3.809 -0.515 1.00 0.00 C ATOM 549 C LYS A 34 8.516 -4.519 0.783 1.00 0.00 C ATOM 550 O LYS A 34 7.318 -4.615 1.081 1.00 0.00 O ATOM 551 CB LYS A 34 9.373 -4.844 -1.552 1.00 0.00 C ATOM 552 CG LYS A 34 9.405 -4.327 -2.984 1.00 0.00 C ATOM 553 CD LYS A 34 9.859 -5.408 -3.953 1.00 0.00 C ATOM 554 CE LYS A 34 9.909 -4.886 -5.382 1.00 0.00 C ATOM 555 NZ LYS A 34 10.443 -5.904 -6.328 1.00 0.00 N ATOM 0 H LYS A 34 10.848 -2.989 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 34 8.071 -3.259 -0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.366 -5.208 -1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.697 -5.698 -1.502 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.413 -3.975 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.078 -3.472 -3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.845 -5.770 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.178 -6.258 -3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.908 -4.590 -5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.533 -3.993 -5.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.100 -5.699 -7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.483 -5.876 -6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.120 -6.849 -6.039 1.00 0.00 H new ATOM 569 N GLU A 35 9.506 -5.003 1.556 1.00 0.00 N ATOM 570 CA GLU A 35 9.239 -5.700 2.826 1.00 0.00 C ATOM 571 C GLU A 35 8.572 -4.764 3.847 1.00 0.00 C ATOM 572 O GLU A 35 7.755 -5.219 4.632 1.00 0.00 O ATOM 573 CB GLU A 35 10.535 -6.270 3.406 1.00 0.00 C ATOM 574 CG GLU A 35 11.599 -5.226 3.715 1.00 0.00 C ATOM 575 CD GLU A 35 12.838 -5.860 4.282 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.879 -7.064 4.372 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.788 -5.152 4.521 1.00 0.00 O ATOM 0 H GLU A 35 10.496 -4.924 1.323 1.00 0.00 H new ATOM 0 HA GLU A 35 8.552 -6.520 2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.301 -6.814 4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.947 -6.993 2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.851 -4.680 2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.203 -4.499 4.424 1.00 0.00 H new ATOM 584 N LYS A 36 8.910 -3.457 3.794 1.00 0.00 N ATOM 585 CA LYS A 36 8.302 -2.428 4.665 1.00 0.00 C ATOM 586 C LYS A 36 6.804 -2.271 4.371 1.00 0.00 C ATOM 587 O LYS A 36 5.999 -2.168 5.294 1.00 0.00 O ATOM 588 CB LYS A 36 9.011 -1.083 4.490 1.00 0.00 C ATOM 589 CG LYS A 36 10.446 -1.059 4.999 1.00 0.00 C ATOM 590 CD LYS A 36 11.082 0.308 4.794 1.00 0.00 C ATOM 591 CE LYS A 36 12.559 0.293 5.163 1.00 0.00 C ATOM 592 NZ LYS A 36 12.769 0.000 6.607 1.00 0.00 N ATOM 0 H LYS A 36 9.609 -3.087 3.149 1.00 0.00 H new ATOM 0 HA LYS A 36 8.419 -2.757 5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.009 -0.820 3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.440 -0.314 5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.463 -1.315 6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.032 -1.817 4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.968 0.612 3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.561 1.048 5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.075 -0.456 4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.003 1.258 4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.778 0.099 6.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.215 0.668 7.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.461 -0.972 6.812 1.00 0.00 H new ATOM 606 N LEU A 37 6.457 -2.256 3.073 1.00 0.00 N ATOM 607 CA LEU A 37 5.064 -2.159 2.612 1.00 0.00 C ATOM 608 C LEU A 37 4.250 -3.384 3.069 1.00 0.00 C ATOM 609 O LEU A 37 3.102 -3.233 3.475 1.00 0.00 O ATOM 610 CB LEU A 37 5.016 -2.022 1.084 1.00 0.00 C ATOM 611 CG LEU A 37 5.497 -0.672 0.535 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.696 -0.762 -0.971 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.483 0.409 0.881 1.00 0.00 C ATOM 0 H LEU A 37 7.136 -2.311 2.314 1.00 0.00 H new ATOM 0 HA LEU A 37 4.617 -1.269 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.624 -2.813 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.991 -2.187 0.752 1.00 0.00 H new ATOM 0 HG LEU A 37 6.453 -0.415 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.037 0.201 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.441 -1.525 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.752 -1.026 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.825 1.367 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.519 0.160 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.377 0.475 1.964 1.00 0.00 H new ATOM 625 N LYS A 38 4.871 -4.590 3.024 1.00 0.00 N ATOM 626 CA LYS A 38 4.245 -5.836 3.533 1.00 0.00 C ATOM 627 C LYS A 38 3.904 -5.727 5.038 1.00 0.00 C ATOM 628 O LYS A 38 2.805 -6.106 5.452 1.00 0.00 O ATOM 629 CB LYS A 38 5.165 -7.034 3.291 1.00 0.00 C ATOM 630 CG LYS A 38 5.336 -7.410 1.826 1.00 0.00 C ATOM 631 CD LYS A 38 6.325 -8.555 1.660 1.00 0.00 C ATOM 632 CE LYS A 38 6.643 -8.805 0.193 1.00 0.00 C ATOM 633 NZ LYS A 38 7.697 -9.842 0.021 1.00 0.00 N ATOM 0 H LYS A 38 5.806 -4.725 2.640 1.00 0.00 H new ATOM 0 HA LYS A 38 3.314 -5.983 2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.145 -6.815 3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.770 -7.895 3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.371 -7.696 1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.683 -6.543 1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.244 -8.325 2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.913 -9.461 2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.737 -9.119 -0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.970 -7.875 -0.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.944 -9.922 -0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.542 -9.572 0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.342 -10.758 0.364 1.00 0.00 H new ATOM 647 N LYS A 39 4.852 -5.170 5.832 1.00 0.00 N ATOM 648 CA LYS A 39 4.674 -4.952 7.287 1.00 0.00 C ATOM 649 C LYS A 39 3.499 -3.987 7.555 1.00 0.00 C ATOM 650 O LYS A 39 2.642 -4.260 8.395 1.00 0.00 O ATOM 651 CB LYS A 39 5.957 -4.405 7.914 1.00 0.00 C ATOM 652 CG LYS A 39 7.099 -5.411 7.988 1.00 0.00 C ATOM 653 CD LYS A 39 8.346 -4.789 8.597 1.00 0.00 C ATOM 654 CE LYS A 39 9.496 -5.785 8.645 1.00 0.00 C ATOM 655 NZ LYS A 39 10.725 -5.188 9.236 1.00 0.00 N ATOM 0 H LYS A 39 5.759 -4.861 5.482 1.00 0.00 H new ATOM 0 HA LYS A 39 4.446 -5.914 7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.288 -3.540 7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.733 -4.053 8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.791 -6.271 8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.326 -5.781 6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.642 -3.917 8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.124 -4.438 9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.198 -6.655 9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.713 -6.138 7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.484 -5.899 9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.025 -4.373 8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.526 -4.874 10.207 1.00 0.00 H new ATOM 669 N VAL A 40 3.491 -2.868 6.802 1.00 0.00 N ATOM 670 CA VAL A 40 2.469 -1.807 6.890 1.00 0.00 C ATOM 671 C VAL A 40 1.058 -2.326 6.536 1.00 0.00 C ATOM 672 O VAL A 40 0.098 -2.064 7.271 1.00 0.00 O ATOM 673 CB VAL A 40 2.810 -0.624 5.965 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.628 0.327 5.856 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.040 0.113 6.475 1.00 0.00 C ATOM 0 H VAL A 40 4.208 -2.674 6.103 1.00 0.00 H new ATOM 0 HA VAL A 40 2.469 -1.473 7.927 1.00 0.00 H new ATOM 0 HB VAL A 40 3.029 -1.016 4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.888 1.157 5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.769 -0.205 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.379 0.712 6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.267 0.946 5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.847 0.492 7.478 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.888 -0.571 6.503 1.00 0.00 H new ATOM 685 N LEU A 41 0.973 -3.077 5.429 1.00 0.00 N ATOM 686 CA LEU A 41 -0.279 -3.681 4.947 1.00 0.00 C ATOM 687 C LEU A 41 -0.835 -4.701 5.955 1.00 0.00 C ATOM 688 O LEU A 41 -2.030 -4.669 6.261 1.00 0.00 O ATOM 689 CB LEU A 41 -0.054 -4.348 3.583 1.00 0.00 C ATOM 690 CG LEU A 41 0.010 -3.388 2.390 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.556 -4.112 1.166 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.377 -2.829 2.111 1.00 0.00 C ATOM 0 H LEU A 41 1.778 -3.285 4.837 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.016 -2.885 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.876 -4.915 3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.857 -5.064 3.410 1.00 0.00 H new ATOM 0 HG LEU A 41 0.680 -2.561 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.598 -3.422 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.558 -4.484 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.096 -4.949 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.330 -2.146 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.060 -3.647 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.736 -2.292 2.989 1.00 0.00 H new ATOM 704 N ASN A 42 0.055 -5.567 6.496 1.00 0.00 N ATOM 705 CA ASN A 42 -0.318 -6.596 7.496 1.00 0.00 C ATOM 706 C ASN A 42 -0.816 -5.925 8.804 1.00 0.00 C ATOM 707 O ASN A 42 -1.793 -6.394 9.398 1.00 0.00 O ATOM 708 CB ASN A 42 0.837 -7.536 7.791 1.00 0.00 C ATOM 709 CG ASN A 42 1.105 -8.527 6.693 1.00 0.00 C ATOM 710 OD1 ASN A 42 0.258 -8.766 5.824 1.00 0.00 O ATOM 711 ND2 ASN A 42 2.245 -9.164 6.773 1.00 0.00 N ATOM 0 H ASN A 42 1.046 -5.572 6.253 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.128 -7.190 7.072 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.738 -6.947 7.965 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.627 -8.077 8.714 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.469 -9.896 6.099 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.910 -8.929 7.510 1.00 0.00 H new ATOM 718 N GLU A 43 -0.179 -4.789 9.190 1.00 0.00 N ATOM 719 CA GLU A 43 -0.555 -4.003 10.400 1.00 0.00 C ATOM 720 C GLU A 43 -1.984 -3.436 10.304 1.00 0.00 C ATOM 721 O GLU A 43 -2.757 -3.506 11.266 1.00 0.00 O ATOM 722 CB GLU A 43 0.436 -2.857 10.624 1.00 0.00 C ATOM 723 CG GLU A 43 0.173 -2.035 11.877 1.00 0.00 C ATOM 724 CD GLU A 43 1.127 -0.878 11.982 1.00 0.00 C ATOM 725 OE1 GLU A 43 2.312 -1.104 11.927 1.00 0.00 O ATOM 726 OE2 GLU A 43 0.673 0.241 12.003 1.00 0.00 O ATOM 0 H GLU A 43 0.607 -4.392 8.675 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.522 -4.689 11.247 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.443 -3.270 10.680 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.410 -2.196 9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.852 -1.664 11.862 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.270 -2.670 12.758 1.00 0.00 H new ATOM 733 N ARG A 44 -2.313 -2.875 9.133 1.00 0.00 N ATOM 734 CA ARG A 44 -3.619 -2.251 8.870 1.00 0.00 C ATOM 735 C ARG A 44 -4.734 -3.314 8.747 1.00 0.00 C ATOM 736 O ARG A 44 -5.918 -3.016 8.933 1.00 0.00 O ATOM 737 CB ARG A 44 -3.580 -1.337 7.654 1.00 0.00 C ATOM 738 CG ARG A 44 -2.686 -0.116 7.801 1.00 0.00 C ATOM 739 CD ARG A 44 -3.214 0.923 8.721 1.00 0.00 C ATOM 740 NE ARG A 44 -2.922 0.689 10.127 1.00 0.00 N ATOM 741 CZ ARG A 44 -3.503 1.346 11.149 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.378 2.303 10.929 1.00 0.00 N ATOM 743 NH2 ARG A 44 -3.152 1.020 12.381 1.00 0.00 N ATOM 0 H ARG A 44 -1.678 -2.840 8.336 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.855 -1.623 9.729 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.243 -1.915 6.794 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.594 -1.003 7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.708 -0.438 8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.535 0.329 6.818 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.800 1.889 8.433 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.295 0.988 8.593 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.228 -0.023 10.355 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.626 2.558 9.973 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.809 2.791 11.715 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.458 0.289 12.537 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.575 1.500 13.176 1.00 0.00 H new ATOM 757 N MET A 45 -4.334 -4.565 8.444 1.00 0.00 N ATOM 758 CA MET A 45 -5.270 -5.698 8.382 1.00 0.00 C ATOM 759 C MET A 45 -5.441 -6.413 9.745 1.00 0.00 C ATOM 760 O MET A 45 -6.299 -7.275 9.841 1.00 0.00 O ATOM 761 CB MET A 45 -4.798 -6.694 7.325 1.00 0.00 C ATOM 762 CG MET A 45 -4.788 -6.148 5.905 1.00 0.00 C ATOM 763 SD MET A 45 -6.410 -5.565 5.372 1.00 0.00 S ATOM 764 CE MET A 45 -7.312 -7.109 5.282 1.00 0.00 C ATOM 0 H MET A 45 -3.366 -4.813 8.238 1.00 0.00 H new ATOM 0 HA MET A 45 -6.247 -5.296 8.113 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.792 -7.026 7.580 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.442 -7.573 7.359 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.073 -5.328 5.840 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.444 -6.926 5.223 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.046 -7.055 4.478 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.617 -7.925 5.085 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.823 -7.288 6.228 1.00 0.00 H new ATOM 774 N ASP A 46 -4.647 -6.078 10.783 1.00 0.00 N ATOM 775 CA ASP A 46 -4.786 -6.722 12.134 1.00 0.00 C ATOM 776 C ASP A 46 -6.148 -6.414 12.831 1.00 0.00 C ATOM 777 O ASP A 46 -6.824 -7.370 13.245 1.00 0.00 O ATOM 778 CB ASP A 46 -3.638 -6.280 13.046 1.00 0.00 C ATOM 779 CG ASP A 46 -2.295 -6.920 12.721 1.00 0.00 C ATOM 780 OD1 ASP A 46 -2.276 -7.867 11.972 1.00 0.00 O ATOM 781 OD2 ASP A 46 -1.290 -6.365 13.096 1.00 0.00 O ATOM 0 H ASP A 46 -3.908 -5.377 10.728 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.750 -7.798 11.965 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.536 -5.197 12.982 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.899 -6.515 14.078 1.00 0.00 H new ATOM 786 N PRO A 47 -6.587 -5.101 12.994 1.00 0.00 N ATOM 787 CA PRO A 47 -7.912 -4.787 13.605 1.00 0.00 C ATOM 788 C PRO A 47 -9.081 -5.271 12.720 1.00 0.00 C ATOM 789 O PRO A 47 -10.173 -5.532 13.213 1.00 0.00 O ATOM 790 CB PRO A 47 -7.904 -3.263 13.755 1.00 0.00 C ATOM 791 CG PRO A 47 -6.958 -2.791 12.704 1.00 0.00 C ATOM 792 CD PRO A 47 -5.874 -3.833 12.647 1.00 0.00 C ATOM 0 HA PRO A 47 -8.058 -5.295 14.558 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.900 -2.844 13.610 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.574 -2.964 14.750 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.458 -2.691 11.741 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.549 -1.812 12.954 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.420 -3.886 11.657 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.073 -3.617 13.354 1.00 0.00 H new ATOM 800 N ILE A 48 -8.784 -5.459 11.425 1.00 0.00 N ATOM 801 CA ILE A 48 -9.743 -5.910 10.399 1.00 0.00 C ATOM 802 C ILE A 48 -10.178 -7.383 10.654 1.00 0.00 C ATOM 803 O ILE A 48 -11.316 -7.773 10.357 1.00 0.00 O ATOM 804 CB ILE A 48 -9.150 -5.789 8.983 1.00 0.00 C ATOM 805 CG1 ILE A 48 -8.817 -4.328 8.666 1.00 0.00 C ATOM 806 CG2 ILE A 48 -10.115 -6.354 7.952 1.00 0.00 C ATOM 807 CD1 ILE A 48 -10.010 -3.403 8.731 1.00 0.00 C ATOM 0 H ILE A 48 -7.849 -5.298 11.051 1.00 0.00 H new ATOM 0 HA ILE A 48 -10.616 -5.261 10.469 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.228 -6.368 8.943 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.059 -3.978 9.366 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.380 -4.273 7.669 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.680 -6.260 6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.304 -7.406 8.168 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -11.054 -5.801 7.991 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -9.695 -2.386 8.495 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.761 -3.727 8.011 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.435 -3.427 9.734 1.00 0.00 H new ATOM 819 N LYS A 49 -9.263 -8.176 11.247 1.00 0.00 N ATOM 820 CA LYS A 49 -9.517 -9.589 11.591 1.00 0.00 C ATOM 821 C LYS A 49 -10.442 -9.663 12.805 1.00 0.00 C ATOM 822 O LYS A 49 -11.358 -10.494 12.855 1.00 0.00 O ATOM 823 CB LYS A 49 -8.211 -10.332 11.873 1.00 0.00 C ATOM 824 CG LYS A 49 -7.272 -10.428 10.679 1.00 0.00 C ATOM 825 CD LYS A 49 -5.949 -11.074 11.065 1.00 0.00 C ATOM 826 CE LYS A 49 -4.963 -11.052 9.908 1.00 0.00 C ATOM 827 NZ LYS A 49 -3.629 -11.581 10.304 1.00 0.00 N ATOM 0 H LYS A 49 -8.329 -7.855 11.500 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.997 -10.071 10.740 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.691 -9.831 12.689 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.447 -11.339 12.216 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.745 -11.009 9.887 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.089 -9.432 10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.522 -10.549 11.919 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.123 -12.104 11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.358 -11.645 9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.855 -10.031 9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.986 -11.549 9.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.240 -11.000 11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.728 -12.564 10.628 1.00 0.00 H new ATOM 841 N LYS A 50 -10.174 -8.785 13.781 1.00 0.00 N ATOM 842 CA LYS A 50 -11.037 -8.584 14.950 1.00 0.00 C ATOM 843 C LYS A 50 -12.454 -8.134 14.530 1.00 0.00 C ATOM 844 O LYS A 50 -13.442 -8.472 15.201 1.00 0.00 O ATOM 845 CB LYS A 50 -10.415 -7.557 15.899 1.00 0.00 C ATOM 846 CG LYS A 50 -11.266 -7.233 17.120 1.00 0.00 C ATOM 847 CD LYS A 50 -10.548 -6.269 18.054 1.00 0.00 C ATOM 848 CE LYS A 50 -10.382 -4.898 17.415 1.00 0.00 C ATOM 849 NZ LYS A 50 -9.719 -3.934 18.333 1.00 0.00 N ATOM 0 H LYS A 50 -9.345 -8.190 13.780 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.127 -9.538 15.469 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.447 -7.930 16.234 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.228 -6.636 15.347 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.212 -6.797 16.801 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.503 -8.153 17.655 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.110 -6.174 18.983 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.569 -6.672 18.313 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.795 -4.992 16.502 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.359 -4.511 17.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.625 -3.013 17.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.292 -3.824 19.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.776 -4.290 18.588 1.00 0.00 H new ATOM 863 N LEU A 51 -12.557 -7.405 13.404 1.00 0.00 N ATOM 864 CA LEU A 51 -13.863 -7.018 12.840 1.00 0.00 C ATOM 865 C LEU A 51 -14.451 -8.210 12.047 1.00 0.00 C ATOM 866 O LEU A 51 -15.667 -8.337 11.914 1.00 0.00 O ATOM 867 CB LEU A 51 -13.721 -5.781 11.945 1.00 0.00 C ATOM 868 CG LEU A 51 -13.248 -4.509 12.659 1.00 0.00 C ATOM 869 CD1 LEU A 51 -13.051 -3.386 11.650 1.00 0.00 C ATOM 870 CD2 LEU A 51 -14.265 -4.110 13.717 1.00 0.00 C ATOM 0 H LEU A 51 -11.755 -7.073 12.868 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.544 -6.761 13.652 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.019 -6.011 11.144 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -14.684 -5.579 11.477 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.292 -4.701 13.147 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.715 -2.487 12.167 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.302 -3.684 10.916 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.994 -3.182 11.144 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.927 -3.206 14.224 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -15.228 -3.922 13.243 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.369 -4.916 14.444 1.00 0.00 H new ATOM 882 N GLY A 52 -13.555 -9.072 11.530 1.00 0.00 N ATOM 883 CA GLY A 52 -13.942 -10.257 10.758 1.00 0.00 C ATOM 884 C GLY A 52 -14.395 -9.905 9.352 1.00 0.00 C ATOM 885 O GLY A 52 -15.198 -10.625 8.749 1.00 0.00 O ATOM 0 H GLY A 52 -12.547 -8.963 11.638 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.098 -10.945 10.704 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.746 -10.779 11.277 1.00 0.00 H new ATOM 889 N CYS A 53 -13.874 -8.781 8.842 1.00 0.00 N ATOM 890 CA CYS A 53 -14.284 -8.207 7.554 1.00 0.00 C ATOM 891 C CYS A 53 -14.005 -9.193 6.412 1.00 0.00 C ATOM 892 O CYS A 53 -12.854 -9.606 6.225 1.00 0.00 O ATOM 893 CB CYS A 53 -13.507 -6.903 7.317 1.00 0.00 C ATOM 894 SG CYS A 53 -13.603 -5.736 8.710 1.00 0.00 S ATOM 0 H CYS A 53 -13.150 -8.240 9.316 1.00 0.00 H new ATOM 0 HA CYS A 53 -15.354 -8.002 7.578 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -12.461 -7.143 7.126 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -13.892 -6.418 6.420 1.00 0.00 H new ATOM 899 N LYS A 54 -15.058 -9.583 5.674 1.00 0.00 N ATOM 900 CA LYS A 54 -14.933 -10.465 4.504 1.00 0.00 C ATOM 901 C LYS A 54 -14.106 -9.781 3.407 1.00 0.00 C ATOM 902 O LYS A 54 -13.032 -10.253 3.046 1.00 0.00 O ATOM 903 CB LYS A 54 -16.310 -10.853 3.965 1.00 0.00 C ATOM 904 CG LYS A 54 -16.275 -11.784 2.761 1.00 0.00 C ATOM 905 CD LYS A 54 -17.679 -12.172 2.320 1.00 0.00 C ATOM 906 CE LYS A 54 -17.646 -13.091 1.108 1.00 0.00 C ATOM 907 NZ LYS A 54 -19.013 -13.462 0.653 1.00 0.00 N ATOM 0 H LYS A 54 -16.017 -9.296 5.872 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.420 -11.374 4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.877 -11.332 4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.849 -9.946 3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.755 -11.296 1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.709 -12.682 3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -18.196 -12.669 3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -18.249 -11.274 2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -17.114 -12.599 0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.088 -13.995 1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -18.945 -14.088 -0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -19.513 -13.955 1.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.538 -12.602 0.394 1.00 0.00 H new ATOM 921 N ARG A 55 -14.623 -8.652 2.907 1.00 0.00 N ATOM 922 CA ARG A 55 -13.971 -7.836 1.866 1.00 0.00 C ATOM 923 C ARG A 55 -13.742 -6.418 2.409 1.00 0.00 C ATOM 924 O ARG A 55 -14.578 -5.880 3.140 1.00 0.00 O ATOM 925 CB ARG A 55 -14.740 -7.825 0.553 1.00 0.00 C ATOM 926 CG ARG A 55 -14.086 -7.032 -0.566 1.00 0.00 C ATOM 927 CD ARG A 55 -14.821 -7.070 -1.856 1.00 0.00 C ATOM 928 NE ARG A 55 -16.080 -6.343 -1.854 1.00 0.00 N ATOM 929 CZ ARG A 55 -16.958 -6.332 -2.875 1.00 0.00 C ATOM 930 NH1 ARG A 55 -16.705 -6.974 -3.993 1.00 0.00 N ATOM 931 NH2 ARG A 55 -18.073 -5.637 -2.731 1.00 0.00 N ATOM 0 H ARG A 55 -15.518 -8.271 3.216 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.009 -8.291 1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.874 -8.854 0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.734 -7.417 0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.987 -5.994 -0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.078 -7.415 -0.725 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.180 -6.660 -2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.017 -8.110 -2.118 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.315 -5.803 -1.021 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.832 -7.491 -4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.381 -6.955 -4.756 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.249 -5.129 -1.864 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.758 -5.609 -3.486 1.00 0.00 H new ATOM 945 N VAL A 56 -12.595 -5.836 2.050 1.00 0.00 N ATOM 946 CA VAL A 56 -12.168 -4.500 2.499 1.00 0.00 C ATOM 947 C VAL A 56 -11.697 -3.684 1.287 1.00 0.00 C ATOM 948 O VAL A 56 -11.341 -4.256 0.254 1.00 0.00 O ATOM 949 CB VAL A 56 -11.037 -4.575 3.541 1.00 0.00 C ATOM 950 CG1 VAL A 56 -11.508 -5.308 4.788 1.00 0.00 C ATOM 951 CG2 VAL A 56 -9.814 -5.261 2.952 1.00 0.00 C ATOM 0 H VAL A 56 -11.922 -6.284 1.428 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.022 -4.018 2.974 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.761 -3.559 3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.695 -5.351 5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.355 -4.778 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.811 -6.321 4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.025 -5.305 3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.078 -6.272 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.462 -4.698 2.088 1.00 0.00 H new ATOM 961 N ARG A 57 -11.731 -2.351 1.403 1.00 0.00 N ATOM 962 CA ARG A 57 -11.226 -1.442 0.367 1.00 0.00 C ATOM 963 C ARG A 57 -10.106 -0.607 0.980 1.00 0.00 C ATOM 964 O ARG A 57 -10.273 -0.019 2.057 1.00 0.00 O ATOM 965 CB ARG A 57 -12.314 -0.579 -0.256 1.00 0.00 C ATOM 966 CG ARG A 57 -11.836 0.356 -1.356 1.00 0.00 C ATOM 967 CD ARG A 57 -12.920 1.122 -2.023 1.00 0.00 C ATOM 968 NE ARG A 57 -13.837 0.309 -2.806 1.00 0.00 N ATOM 969 CZ ARG A 57 -15.046 0.721 -3.236 1.00 0.00 C ATOM 970 NH1 ARG A 57 -15.503 1.916 -2.933 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.772 -0.119 -3.953 1.00 0.00 N ATOM 0 H ARG A 57 -12.110 -1.871 2.219 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.839 -2.031 -0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.086 -1.231 -0.663 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.781 0.016 0.529 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.118 1.059 -0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.305 -0.228 -2.107 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.488 1.660 -1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.471 1.871 -2.675 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.545 -0.638 -3.046 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.940 2.548 -2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.420 2.211 -3.267 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.413 -1.050 -4.166 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.691 0.163 -4.293 1.00 0.00 H new ATOM 985 N ILE A 58 -8.946 -0.620 0.319 1.00 0.00 N ATOM 986 CA ILE A 58 -7.749 0.102 0.757 1.00 0.00 C ATOM 987 C ILE A 58 -7.353 1.118 -0.329 1.00 0.00 C ATOM 988 O ILE A 58 -7.358 0.791 -1.513 1.00 0.00 O ATOM 989 CB ILE A 58 -6.571 -0.848 1.038 1.00 0.00 C ATOM 990 CG1 ILE A 58 -6.949 -1.864 2.119 1.00 0.00 C ATOM 991 CG2 ILE A 58 -5.338 -0.059 1.453 1.00 0.00 C ATOM 992 CD1 ILE A 58 -5.963 -3.000 2.261 1.00 0.00 C ATOM 0 H ILE A 58 -8.810 -1.140 -0.548 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.982 0.613 1.691 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.339 -1.391 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.034 -1.348 3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.932 -2.275 1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.515 -0.746 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.058 0.625 0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.557 0.510 2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.299 -3.678 3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.894 -3.542 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.983 -2.601 2.522 1.00 0.00 H new ATOM 1004 N SER A 59 -7.067 2.355 0.082 1.00 0.00 N ATOM 1005 CA SER A 59 -6.512 3.405 -0.780 1.00 0.00 C ATOM 1006 C SER A 59 -5.167 3.829 -0.179 1.00 0.00 C ATOM 1007 O SER A 59 -5.064 4.082 1.024 1.00 0.00 O ATOM 1008 CB SER A 59 -7.462 4.581 -0.893 1.00 0.00 C ATOM 1009 OG SER A 59 -8.597 4.270 -1.652 1.00 0.00 O ATOM 0 H SER A 59 -7.217 2.663 1.043 1.00 0.00 H new ATOM 0 HA SER A 59 -6.369 3.028 -1.793 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.769 4.896 0.104 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.942 5.424 -1.348 1.00 0.00 H new ATOM 0 HG SER A 59 -9.184 5.054 -1.699 1.00 0.00 H new ATOM 1015 N ILE A 60 -4.120 3.807 -1.013 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.754 4.139 -0.605 1.00 0.00 C ATOM 1017 C ILE A 60 -2.217 5.302 -1.454 1.00 0.00 C ATOM 1018 O ILE A 60 -2.218 5.230 -2.692 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.811 2.929 -0.734 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -2.287 1.782 0.161 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.386 3.326 -0.383 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -1.518 0.496 -0.033 1.00 0.00 C ATOM 0 H ILE A 60 -4.200 3.556 -1.998 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.787 4.433 0.444 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.827 2.586 -1.769 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.205 2.089 1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.343 1.596 -0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.267 2.459 -0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.050 4.111 -1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.353 3.693 0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.913 -0.269 0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.620 0.163 -1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.465 0.665 0.191 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.777 6.375 -0.775 1.00 0.00 N ATOM 1035 CA ARG A 61 -1.201 7.565 -1.407 1.00 0.00 C ATOM 1036 C ARG A 61 0.298 7.574 -1.070 1.00 0.00 C ATOM 1037 O ARG A 61 0.682 7.433 0.094 1.00 0.00 O ATOM 1038 CB ARG A 61 -1.899 8.857 -1.010 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.571 10.056 -1.886 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.319 11.292 -1.536 1.00 0.00 C ATOM 1041 NE ARG A 61 -2.243 12.344 -2.537 1.00 0.00 N ATOM 1042 CZ ARG A 61 -2.687 13.604 -2.358 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -3.268 13.963 -1.235 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -2.541 14.464 -3.349 1.00 0.00 N ATOM 0 H ARG A 61 -1.814 6.437 0.242 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.347 7.514 -2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.976 8.693 -1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.634 9.095 0.020 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.503 10.260 -1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.780 9.800 -2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.366 11.035 -1.375 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.937 11.678 -0.591 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.824 12.112 -3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.388 13.284 -0.483 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.599 14.921 -1.115 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.102 14.168 -4.221 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.867 15.425 -3.243 1.00 0.00 H new ATOM 1058 N VAL A 62 1.138 7.701 -2.105 1.00 0.00 N ATOM 1059 CA VAL A 62 2.602 7.641 -1.965 1.00 0.00 C ATOM 1060 C VAL A 62 3.185 9.044 -2.232 1.00 0.00 C ATOM 1061 O VAL A 62 2.695 9.758 -3.115 1.00 0.00 O ATOM 1062 CB VAL A 62 3.238 6.621 -2.929 1.00 0.00 C ATOM 1063 CG1 VAL A 62 3.124 7.105 -4.366 1.00 0.00 C ATOM 1064 CG2 VAL A 62 4.694 6.378 -2.564 1.00 0.00 C ATOM 0 H VAL A 62 0.824 7.848 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 62 2.833 7.314 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 62 2.698 5.678 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.578 6.373 -5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.073 7.230 -4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.639 8.060 -4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.127 5.655 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.246 7.316 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.754 5.989 -1.548 1.00 0.00 H new ATOM 1074 N LYS A 63 4.202 9.455 -1.458 1.00 0.00 N ATOM 1075 CA LYS A 63 4.759 10.815 -1.563 1.00 0.00 C ATOM 1076 C LYS A 63 5.845 10.862 -2.648 1.00 0.00 C ATOM 1077 O LYS A 63 6.768 10.038 -2.665 1.00 0.00 O ATOM 1078 CB LYS A 63 5.331 11.273 -0.220 1.00 0.00 C ATOM 1079 CG LYS A 63 5.886 12.691 -0.224 1.00 0.00 C ATOM 1080 CD LYS A 63 6.424 13.078 1.146 1.00 0.00 C ATOM 1081 CE LYS A 63 6.998 14.487 1.139 1.00 0.00 C ATOM 1082 NZ LYS A 63 7.536 14.875 2.471 1.00 0.00 N ATOM 0 H LYS A 63 4.654 8.869 -0.756 1.00 0.00 H new ATOM 0 HA LYS A 63 3.953 11.495 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.549 11.204 0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.124 10.586 0.077 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.681 12.770 -0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.103 13.389 -0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.625 13.013 1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.196 12.370 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.791 14.552 0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.223 15.193 0.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.917 15.841 2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.774 14.838 3.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.293 14.217 2.745 1.00 0.00 H new ATOM 1096 N HIS A 64 5.697 11.822 -3.572 1.00 0.00 N ATOM 1097 CA HIS A 64 6.596 11.987 -4.711 1.00 0.00 C ATOM 1098 C HIS A 64 7.527 13.173 -4.398 1.00 0.00 C ATOM 1099 O HIS A 64 7.064 14.166 -3.814 1.00 0.00 O ATOM 1100 CB HIS A 64 5.821 12.222 -6.012 1.00 0.00 C ATOM 1101 CG HIS A 64 4.798 11.167 -6.300 1.00 0.00 C ATOM 1102 ND1 HIS A 64 5.131 9.927 -6.806 1.00 0.00 N ATOM 1103 CD2 HIS A 64 3.452 11.167 -6.157 1.00 0.00 C ATOM 1104 CE1 HIS A 64 4.032 9.210 -6.960 1.00 0.00 C ATOM 1105 NE2 HIS A 64 3.000 9.939 -6.574 1.00 0.00 N ATOM 0 H HIS A 64 4.943 12.508 -3.545 1.00 0.00 H new ATOM 0 HA HIS A 64 7.176 11.077 -4.862 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.326 13.192 -5.960 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.526 12.268 -6.842 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.847 11.980 -5.785 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.985 8.199 -7.337 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.025 9.638 -6.584 1.00 0.00 H new ATOM 1113 N SER A 65 8.824 13.017 -4.797 1.00 0.00 N ATOM 1114 CA SER A 65 9.949 13.985 -4.618 1.00 0.00 C ATOM 1115 C SER A 65 9.696 15.404 -5.183 1.00 0.00 C ATOM 1116 O SER A 65 10.070 16.403 -4.561 1.00 0.00 O ATOM 1117 CB SER A 65 11.203 13.414 -5.252 1.00 0.00 C ATOM 1118 OG SER A 65 11.653 12.266 -4.586 1.00 0.00 O ATOM 0 H SER A 65 9.128 12.170 -5.276 1.00 0.00 H new ATOM 0 HA SER A 65 10.055 14.113 -3.541 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.003 13.172 -6.296 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.989 14.169 -5.244 1.00 0.00 H new ATOM 0 HG SER A 65 12.461 11.928 -5.026 1.00 0.00 H new ATOM 1124 N ASP A 66 9.046 15.471 -6.355 1.00 0.00 N ATOM 1125 CA ASP A 66 8.723 16.730 -7.058 1.00 0.00 C ATOM 1126 C ASP A 66 7.543 16.460 -8.001 1.00 0.00 C ATOM 1127 O ASP A 66 7.186 15.295 -8.234 1.00 0.00 O ATOM 1128 CB ASP A 66 9.929 17.263 -7.837 1.00 0.00 C ATOM 1129 CG ASP A 66 9.873 18.755 -8.140 1.00 0.00 C ATOM 1130 OD1 ASP A 66 8.897 19.376 -7.788 1.00 0.00 O ATOM 1131 OD2 ASP A 66 10.863 19.289 -8.576 1.00 0.00 O ATOM 0 H ASP A 66 8.723 14.641 -6.852 1.00 0.00 H new ATOM 0 HA ASP A 66 8.456 17.495 -6.329 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.835 17.054 -7.268 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.010 16.717 -8.777 1.00 0.00 H new ATOM 1136 N ALA A 67 6.957 17.540 -8.563 1.00 0.00 N ATOM 1137 CA ALA A 67 5.788 17.455 -9.471 1.00 0.00 C ATOM 1138 C ALA A 67 6.131 16.680 -10.760 1.00 0.00 C ATOM 1139 O ALA A 67 5.390 15.775 -11.172 1.00 0.00 O ATOM 1140 CB ALA A 67 5.245 18.858 -9.781 1.00 0.00 C ATOM 0 H ALA A 67 7.279 18.494 -8.401 1.00 0.00 H new ATOM 0 HA ALA A 67 5.003 16.895 -8.963 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.387 18.777 -10.449 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.939 19.343 -8.854 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.023 19.452 -10.261 1.00 0.00 H new ATOM 1146 N ALA A 68 7.283 17.018 -11.361 1.00 0.00 N ATOM 1147 CA ALA A 68 7.797 16.331 -12.559 1.00 0.00 C ATOM 1148 C ALA A 68 8.161 14.864 -12.253 1.00 0.00 C ATOM 1149 O ALA A 68 7.993 13.986 -13.108 1.00 0.00 O ATOM 1150 CB ALA A 68 9.011 17.084 -13.123 1.00 0.00 C ATOM 0 H ALA A 68 7.884 17.774 -11.032 1.00 0.00 H new ATOM 0 HA ALA A 68 7.007 16.325 -13.310 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.381 16.566 -14.008 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.717 18.098 -13.393 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.798 17.122 -12.369 1.00 0.00 H new ATOM 1156 N GLU A 69 8.653 14.609 -11.031 1.00 0.00 N ATOM 1157 CA GLU A 69 9.059 13.263 -10.598 1.00 0.00 C ATOM 1158 C GLU A 69 7.846 12.307 -10.489 1.00 0.00 C ATOM 1159 O GLU A 69 8.025 11.107 -10.665 1.00 0.00 O ATOM 1160 CB GLU A 69 9.793 13.336 -9.258 1.00 0.00 C ATOM 1161 CG GLU A 69 11.161 13.998 -9.326 1.00 0.00 C ATOM 1162 CD GLU A 69 12.086 13.245 -10.242 1.00 0.00 C ATOM 1163 OE1 GLU A 69 12.240 12.061 -10.058 1.00 0.00 O ATOM 1164 OE2 GLU A 69 12.553 13.828 -11.192 1.00 0.00 O ATOM 0 H GLU A 69 8.780 15.327 -10.318 1.00 0.00 H new ATOM 0 HA GLU A 69 9.732 12.862 -11.356 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.173 13.883 -8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.911 12.326 -8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.054 15.024 -9.677 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.594 14.046 -8.327 1.00 0.00 H new ATOM 1171 N GLU A 70 6.628 12.869 -10.241 1.00 0.00 N ATOM 1172 CA GLU A 70 5.392 12.088 -9.911 1.00 0.00 C ATOM 1173 C GLU A 70 5.118 10.897 -10.855 1.00 0.00 C ATOM 1174 O GLU A 70 4.785 9.811 -10.384 1.00 0.00 O ATOM 1175 CB GLU A 70 4.175 13.015 -9.914 1.00 0.00 C ATOM 1176 CG GLU A 70 4.106 13.967 -8.728 1.00 0.00 C ATOM 1177 CD GLU A 70 2.924 14.889 -8.836 1.00 0.00 C ATOM 1178 OE1 GLU A 70 2.241 14.836 -9.830 1.00 0.00 O ATOM 1179 OE2 GLU A 70 2.637 15.568 -7.877 1.00 0.00 O ATOM 0 H GLU A 70 6.472 13.877 -10.264 1.00 0.00 H new ATOM 0 HA GLU A 70 5.568 11.666 -8.922 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.181 13.600 -10.834 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.270 12.407 -9.929 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.040 13.395 -7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.024 14.553 -8.675 1.00 0.00 H new ATOM 1186 N LYS A 71 5.266 11.122 -12.174 1.00 0.00 N ATOM 1187 CA LYS A 71 4.987 10.101 -13.209 1.00 0.00 C ATOM 1188 C LYS A 71 5.971 8.909 -13.095 1.00 0.00 C ATOM 1189 O LYS A 71 5.557 7.743 -13.090 1.00 0.00 O ATOM 1190 CB LYS A 71 5.065 10.717 -14.606 1.00 0.00 C ATOM 1191 CG LYS A 71 3.935 11.686 -14.930 1.00 0.00 C ATOM 1192 CD LYS A 71 4.083 12.261 -16.330 1.00 0.00 C ATOM 1193 CE LYS A 71 2.975 13.256 -16.642 1.00 0.00 C ATOM 1194 NZ LYS A 71 3.122 13.847 -17.999 1.00 0.00 N ATOM 0 H LYS A 71 5.582 12.014 -12.555 1.00 0.00 H new ATOM 0 HA LYS A 71 3.976 9.727 -13.046 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.016 11.240 -14.707 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.063 9.915 -15.344 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.977 11.172 -14.845 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.928 12.496 -14.201 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.052 12.752 -16.423 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.064 11.452 -17.061 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.009 12.758 -16.566 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.982 14.052 -15.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.347 14.519 -18.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.033 14.345 -18.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.089 13.091 -18.712 1.00 0.00 H new ATOM 1208 N LYS A 72 7.272 9.239 -12.966 1.00 0.00 N ATOM 1209 CA LYS A 72 8.371 8.256 -12.862 1.00 0.00 C ATOM 1210 C LYS A 72 8.288 7.467 -11.530 1.00 0.00 C ATOM 1211 O LYS A 72 8.414 6.234 -11.518 1.00 0.00 O ATOM 1212 CB LYS A 72 9.726 8.955 -12.978 1.00 0.00 C ATOM 1213 CG LYS A 72 10.924 8.015 -12.940 1.00 0.00 C ATOM 1214 CD LYS A 72 12.228 8.772 -13.141 1.00 0.00 C ATOM 1215 CE LYS A 72 13.429 7.841 -13.060 1.00 0.00 C ATOM 1216 NZ LYS A 72 14.714 8.575 -13.212 1.00 0.00 N ATOM 0 H LYS A 72 7.593 10.206 -12.931 1.00 0.00 H new ATOM 0 HA LYS A 72 8.268 7.548 -13.685 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.752 9.519 -13.910 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.820 9.676 -12.166 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.948 7.492 -11.984 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.818 7.256 -13.716 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.216 9.269 -14.111 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.318 9.551 -12.384 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.420 7.320 -12.103 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.352 7.081 -13.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.506 7.904 -13.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.734 9.051 -14.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.801 9.283 -12.455 1.00 0.00 H new ATOM 1230 N GLU A 73 8.040 8.210 -10.431 1.00 0.00 N ATOM 1231 CA GLU A 73 7.982 7.675 -9.059 1.00 0.00 C ATOM 1232 C GLU A 73 6.782 6.729 -8.930 1.00 0.00 C ATOM 1233 O GLU A 73 6.913 5.650 -8.367 1.00 0.00 O ATOM 1234 CB GLU A 73 7.887 8.806 -8.031 1.00 0.00 C ATOM 1235 CG GLU A 73 9.171 9.604 -7.853 1.00 0.00 C ATOM 1236 CD GLU A 73 10.293 8.731 -7.365 1.00 0.00 C ATOM 1237 OE1 GLU A 73 10.084 7.994 -6.433 1.00 0.00 O ATOM 1238 OE2 GLU A 73 11.325 8.719 -7.994 1.00 0.00 O ATOM 0 H GLU A 73 7.872 9.215 -10.476 1.00 0.00 H new ATOM 0 HA GLU A 73 8.900 7.122 -8.859 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.089 9.486 -8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.601 8.382 -7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.451 10.063 -8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.003 10.414 -7.144 1.00 0.00 H new ATOM 1245 N ALA A 74 5.633 7.154 -9.489 1.00 0.00 N ATOM 1246 CA ALA A 74 4.401 6.343 -9.507 1.00 0.00 C ATOM 1247 C ALA A 74 4.569 5.075 -10.365 1.00 0.00 C ATOM 1248 O ALA A 74 4.118 4.002 -9.969 1.00 0.00 O ATOM 1249 CB ALA A 74 3.217 7.181 -10.003 1.00 0.00 C ATOM 0 H ALA A 74 5.533 8.064 -9.938 1.00 0.00 H new ATOM 0 HA ALA A 74 4.199 6.022 -8.485 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.315 6.568 -10.011 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.071 8.033 -9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.421 7.538 -11.012 1.00 0.00 H new ATOM 1255 N LYS A 75 5.211 5.228 -11.544 1.00 0.00 N ATOM 1256 CA LYS A 75 5.517 4.105 -12.458 1.00 0.00 C ATOM 1257 C LYS A 75 6.359 3.017 -11.740 1.00 0.00 C ATOM 1258 O LYS A 75 6.052 1.817 -11.817 1.00 0.00 O ATOM 1259 CB LYS A 75 6.254 4.610 -13.700 1.00 0.00 C ATOM 1260 CG LYS A 75 6.586 3.528 -14.719 1.00 0.00 C ATOM 1261 CD LYS A 75 7.256 4.116 -15.951 1.00 0.00 C ATOM 1262 CE LYS A 75 7.626 3.030 -16.952 1.00 0.00 C ATOM 1263 NZ LYS A 75 8.294 3.590 -18.158 1.00 0.00 N ATOM 0 H LYS A 75 5.532 6.133 -11.889 1.00 0.00 H new ATOM 0 HA LYS A 75 4.573 3.657 -12.768 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.644 5.373 -14.184 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.180 5.093 -13.387 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.243 2.786 -14.264 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.673 3.009 -15.012 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.587 4.835 -16.423 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.152 4.661 -15.655 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.286 2.306 -16.475 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.727 2.492 -17.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.529 2.818 -18.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.655 4.262 -18.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.166 4.082 -17.875 1.00 0.00 H new ATOM 1277 N LYS A 76 7.408 3.472 -11.024 1.00 0.00 N ATOM 1278 CA LYS A 76 8.312 2.607 -10.235 1.00 0.00 C ATOM 1279 C LYS A 76 7.547 1.946 -9.083 1.00 0.00 C ATOM 1280 O LYS A 76 7.626 0.732 -8.888 1.00 0.00 O ATOM 1281 CB LYS A 76 9.496 3.408 -9.692 1.00 0.00 C ATOM 1282 CG LYS A 76 10.527 3.798 -10.743 1.00 0.00 C ATOM 1283 CD LYS A 76 11.770 4.398 -10.102 1.00 0.00 C ATOM 1284 CE LYS A 76 11.475 5.756 -9.483 1.00 0.00 C ATOM 1285 NZ LYS A 76 12.676 6.343 -8.828 1.00 0.00 N ATOM 0 H LYS A 76 7.654 4.461 -10.976 1.00 0.00 H new ATOM 0 HA LYS A 76 8.698 1.829 -10.894 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.119 4.314 -9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.990 2.823 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.804 2.920 -11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.089 4.517 -11.436 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.149 3.722 -9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.554 4.501 -10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.114 6.436 -10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.675 5.654 -8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.427 7.260 -8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.016 5.699 -8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.425 6.481 -9.536 1.00 0.00 H new ATOM 1299 N PHE A 77 6.769 2.764 -8.360 1.00 0.00 N ATOM 1300 CA PHE A 77 6.064 2.343 -7.141 1.00 0.00 C ATOM 1301 C PHE A 77 4.942 1.346 -7.483 1.00 0.00 C ATOM 1302 O PHE A 77 4.614 0.481 -6.674 1.00 0.00 O ATOM 1303 CB PHE A 77 5.531 3.579 -6.352 1.00 0.00 C ATOM 1304 CG PHE A 77 5.418 3.334 -4.846 1.00 0.00 C ATOM 1305 CD1 PHE A 77 6.566 3.277 -4.047 1.00 0.00 C ATOM 1306 CD2 PHE A 77 4.186 3.132 -4.231 1.00 0.00 C ATOM 1307 CE1 PHE A 77 6.477 3.022 -2.690 1.00 0.00 C ATOM 1308 CE2 PHE A 77 4.101 2.881 -2.875 1.00 0.00 C ATOM 1309 CZ PHE A 77 5.243 2.826 -2.105 1.00 0.00 C ATOM 0 H PHE A 77 6.610 3.741 -8.606 1.00 0.00 H new ATOM 0 HA PHE A 77 6.770 1.828 -6.489 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.194 4.426 -6.526 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.552 3.856 -6.742 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.535 3.434 -4.496 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.283 3.172 -4.822 1.00 0.00 H new ATOM 0 HE1 PHE A 77 7.373 2.976 -2.089 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.135 2.727 -2.416 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.172 2.630 -1.045 1.00 0.00 H new ATOM 1319 N ALA A 78 4.366 1.493 -8.690 1.00 0.00 N ATOM 1320 CA ALA A 78 3.364 0.563 -9.224 1.00 0.00 C ATOM 1321 C ALA A 78 3.945 -0.852 -9.285 1.00 0.00 C ATOM 1322 O ALA A 78 3.279 -1.813 -8.898 1.00 0.00 O ATOM 1323 CB ALA A 78 2.889 1.021 -10.609 1.00 0.00 C ATOM 0 H ALA A 78 4.586 2.263 -9.321 1.00 0.00 H new ATOM 0 HA ALA A 78 2.500 0.554 -8.560 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.146 0.320 -10.989 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.445 2.013 -10.531 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.738 1.056 -11.292 1.00 0.00 H new ATOM 1329 N ALA A 79 5.209 -0.959 -9.750 1.00 0.00 N ATOM 1330 CA ALA A 79 5.950 -2.230 -9.804 1.00 0.00 C ATOM 1331 C ALA A 79 6.220 -2.778 -8.384 1.00 0.00 C ATOM 1332 O ALA A 79 6.088 -3.986 -8.141 1.00 0.00 O ATOM 1333 CB ALA A 79 7.262 -2.039 -10.586 1.00 0.00 C ATOM 0 H ALA A 79 5.742 -0.162 -10.098 1.00 0.00 H new ATOM 0 HA ALA A 79 5.340 -2.968 -10.325 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.805 -2.983 -10.622 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.036 -1.711 -11.601 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.875 -1.287 -10.090 1.00 0.00 H new ATOM 1339 N ILE A 80 6.583 -1.858 -7.464 1.00 0.00 N ATOM 1340 CA ILE A 80 6.884 -2.161 -6.048 1.00 0.00 C ATOM 1341 C ILE A 80 5.672 -2.822 -5.356 1.00 0.00 C ATOM 1342 O ILE A 80 5.772 -3.939 -4.842 1.00 0.00 O ATOM 1343 CB ILE A 80 7.282 -0.895 -5.269 1.00 0.00 C ATOM 1344 CG1 ILE A 80 8.525 -0.253 -5.891 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.527 -1.227 -3.804 1.00 0.00 C ATOM 1346 CD1 ILE A 80 9.748 -1.141 -5.864 1.00 0.00 C ATOM 0 H ILE A 80 6.677 -0.867 -7.688 1.00 0.00 H new ATOM 0 HA ILE A 80 7.726 -2.853 -6.044 1.00 0.00 H new ATOM 0 HB ILE A 80 6.461 -0.180 -5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.305 0.016 -6.924 1.00 0.00 H new ATOM 0 HG13 ILE A 80 8.748 0.673 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.808 -0.321 -3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.618 -1.640 -3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.332 -1.958 -3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.588 -0.618 -6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.995 -1.389 -4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.545 -2.057 -6.419 1.00 0.00 H new ATOM 1358 N LEU A 81 4.525 -2.131 -5.411 1.00 0.00 N ATOM 1359 CA LEU A 81 3.256 -2.602 -4.827 1.00 0.00 C ATOM 1360 C LEU A 81 2.697 -3.836 -5.560 1.00 0.00 C ATOM 1361 O LEU A 81 2.116 -4.715 -4.923 1.00 0.00 O ATOM 1362 CB LEU A 81 2.222 -1.469 -4.841 1.00 0.00 C ATOM 1363 CG LEU A 81 2.448 -0.365 -3.800 1.00 0.00 C ATOM 1364 CD1 LEU A 81 1.458 0.771 -4.019 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.301 -0.947 -2.401 1.00 0.00 C ATOM 0 H LEU A 81 4.449 -1.221 -5.866 1.00 0.00 H new ATOM 0 HA LEU A 81 3.461 -2.902 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.217 -1.016 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.233 -1.899 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 81 3.456 0.036 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.627 1.549 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.596 1.187 -5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.441 0.391 -3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.462 -0.162 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.299 -1.358 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.037 -1.738 -2.257 1.00 0.00 H new ATOM 1377 N ASN A 82 2.894 -3.890 -6.893 1.00 0.00 N ATOM 1378 CA ASN A 82 2.451 -5.029 -7.738 1.00 0.00 C ATOM 1379 C ASN A 82 3.024 -6.351 -7.201 1.00 0.00 C ATOM 1380 O ASN A 82 2.323 -7.363 -7.101 1.00 0.00 O ATOM 1381 CB ASN A 82 2.841 -4.839 -9.193 1.00 0.00 C ATOM 1382 CG ASN A 82 2.339 -5.928 -10.100 1.00 0.00 C ATOM 1383 OD1 ASN A 82 1.128 -6.114 -10.269 1.00 0.00 O ATOM 1384 ND2 ASN A 82 3.261 -6.697 -10.621 1.00 0.00 N ATOM 0 H ASN A 82 3.362 -3.151 -7.417 1.00 0.00 H new ATOM 0 HA ASN A 82 1.363 -5.067 -7.691 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.455 -3.881 -9.541 1.00 0.00 H new ATOM 0 HB3 ASN A 82 3.927 -4.790 -9.265 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.994 -7.495 -11.198 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.247 -6.499 -10.450 1.00 0.00 H new ATOM 1391 N LYS A 83 4.315 -6.295 -6.847 1.00 0.00 N ATOM 1392 CA LYS A 83 5.054 -7.416 -6.258 1.00 0.00 C ATOM 1393 C LYS A 83 4.612 -7.691 -4.804 1.00 0.00 C ATOM 1394 O LYS A 83 4.360 -8.842 -4.445 1.00 0.00 O ATOM 1395 CB LYS A 83 6.558 -7.140 -6.308 1.00 0.00 C ATOM 1396 CG LYS A 83 7.425 -8.288 -5.808 1.00 0.00 C ATOM 1397 CD LYS A 83 7.240 -9.533 -6.662 1.00 0.00 C ATOM 1398 CE LYS A 83 8.374 -10.526 -6.448 1.00 0.00 C ATOM 1399 NZ LYS A 83 8.263 -11.224 -5.139 1.00 0.00 N ATOM 0 H LYS A 83 4.883 -5.456 -6.964 1.00 0.00 H new ATOM 0 HA LYS A 83 4.830 -8.306 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.839 -6.909 -7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.772 -6.253 -5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.473 -7.988 -5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.171 -8.514 -4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.289 -10.006 -6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.195 -9.251 -7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.369 -11.261 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.329 -10.003 -6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.072 -11.866 -5.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.259 -10.523 -4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.379 -11.772 -5.112 1.00 0.00 H new ATOM 1413 N VAL A 84 4.472 -6.611 -4.006 1.00 0.00 N ATOM 1414 CA VAL A 84 4.112 -6.684 -2.569 1.00 0.00 C ATOM 1415 C VAL A 84 2.725 -7.330 -2.383 1.00 0.00 C ATOM 1416 O VAL A 84 2.572 -8.286 -1.614 1.00 0.00 O ATOM 1417 CB VAL A 84 4.111 -5.293 -1.908 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.446 -5.353 -0.541 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.530 -4.760 -1.785 1.00 0.00 C ATOM 0 H VAL A 84 4.606 -5.657 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 84 4.871 -7.299 -2.086 1.00 0.00 H new ATOM 0 HB VAL A 84 3.540 -4.613 -2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.454 -4.361 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.416 -5.693 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.990 -6.048 0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.510 -3.776 -1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.123 -5.441 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.976 -4.680 -2.776 1.00 0.00 H new ATOM 1429 N PHE A 85 1.747 -6.800 -3.133 1.00 0.00 N ATOM 1430 CA PHE A 85 0.352 -7.273 -3.122 1.00 0.00 C ATOM 1431 C PHE A 85 0.228 -8.709 -3.668 1.00 0.00 C ATOM 1432 O PHE A 85 -0.575 -9.503 -3.162 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.534 -6.329 -3.936 1.00 0.00 C ATOM 1434 CG PHE A 85 -0.943 -5.089 -3.191 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -1.685 -5.178 -2.023 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.585 -3.833 -3.656 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -2.063 -4.040 -1.337 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -0.961 -2.693 -2.971 1.00 0.00 C ATOM 1439 CZ PHE A 85 -1.700 -2.796 -1.812 1.00 0.00 C ATOM 0 H PHE A 85 1.903 -6.021 -3.773 1.00 0.00 H new ATOM 0 HA PHE A 85 0.019 -7.281 -2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.003 -6.039 -4.843 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.430 -6.866 -4.249 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.971 -6.149 -1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.006 -3.744 -4.563 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.642 -4.124 -0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.676 -1.721 -3.344 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.994 -1.905 -1.277 1.00 0.00 H new ATOM 1449 N ALA A 86 1.075 -9.042 -4.661 1.00 0.00 N ATOM 1450 CA ALA A 86 1.150 -10.400 -5.247 1.00 0.00 C ATOM 1451 C ALA A 86 1.677 -11.441 -4.231 1.00 0.00 C ATOM 1452 O ALA A 86 1.290 -12.617 -4.276 1.00 0.00 O ATOM 1453 CB ALA A 86 2.025 -10.376 -6.502 1.00 0.00 C ATOM 0 H ALA A 86 1.727 -8.380 -5.081 1.00 0.00 H new ATOM 0 HA ALA A 86 0.139 -10.705 -5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.077 -11.378 -6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.594 -9.692 -7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.029 -10.041 -6.239 1.00 0.00 H new ATOM 1459 N GLU A 87 2.552 -10.991 -3.317 1.00 0.00 N ATOM 1460 CA GLU A 87 3.147 -11.833 -2.257 1.00 0.00 C ATOM 1461 C GLU A 87 2.152 -12.025 -1.090 1.00 0.00 C ATOM 1462 O GLU A 87 2.293 -12.956 -0.294 1.00 0.00 O ATOM 1463 CB GLU A 87 4.449 -11.214 -1.746 1.00 0.00 C ATOM 1464 CG GLU A 87 5.594 -11.240 -2.749 1.00 0.00 C ATOM 1465 CD GLU A 87 5.941 -12.647 -3.145 1.00 0.00 C ATOM 1466 OE1 GLU A 87 6.023 -13.485 -2.278 1.00 0.00 O ATOM 1467 OE2 GLU A 87 6.015 -12.912 -4.322 1.00 0.00 O ATOM 0 H GLU A 87 2.872 -10.023 -3.290 1.00 0.00 H new ATOM 0 HA GLU A 87 3.371 -12.810 -2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.257 -10.180 -1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.759 -11.743 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.317 -10.668 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.470 -10.755 -2.317 1.00 0.00 H new ATOM 1474 N LEU A 88 1.141 -11.137 -0.998 1.00 0.00 N ATOM 1475 CA LEU A 88 0.219 -11.058 0.163 1.00 0.00 C ATOM 1476 C LEU A 88 -1.160 -11.680 -0.155 1.00 0.00 C ATOM 1477 O LEU A 88 -1.980 -11.867 0.750 1.00 0.00 O ATOM 1478 CB LEU A 88 0.050 -9.598 0.605 1.00 0.00 C ATOM 1479 CG LEU A 88 1.319 -8.930 1.151 1.00 0.00 C ATOM 1480 CD1 LEU A 88 1.055 -7.457 1.429 1.00 0.00 C ATOM 1481 CD2 LEU A 88 1.767 -9.647 2.416 1.00 0.00 C ATOM 0 H LEU A 88 0.937 -10.452 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 88 0.662 -11.634 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.310 -9.017 -0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.723 -9.554 1.372 1.00 0.00 H new ATOM 0 HG LEU A 88 2.115 -8.999 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.961 -6.992 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.758 -6.960 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.256 -7.363 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.668 -9.172 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.977 -9.591 3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.977 -10.692 2.187 1.00 0.00 H new ATOM 1493 N GLY A 89 -1.402 -12.017 -1.435 1.00 0.00 N ATOM 1494 CA GLY A 89 -2.613 -12.742 -1.851 1.00 0.00 C ATOM 1495 C GLY A 89 -3.568 -11.924 -2.706 1.00 0.00 C ATOM 1496 O GLY A 89 -4.708 -12.349 -2.936 1.00 0.00 O ATOM 0 H GLY A 89 -0.768 -11.796 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.317 -13.632 -2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.142 -13.083 -0.961 1.00 0.00 H new ATOM 1500 N TYR A 90 -3.113 -10.750 -3.166 1.00 0.00 N ATOM 1501 CA TYR A 90 -3.886 -9.876 -4.061 1.00 0.00 C ATOM 1502 C TYR A 90 -3.415 -10.064 -5.522 1.00 0.00 C ATOM 1503 O TYR A 90 -2.216 -10.193 -5.782 1.00 0.00 O ATOM 1504 CB TYR A 90 -3.724 -8.398 -3.635 1.00 0.00 C ATOM 1505 CG TYR A 90 -4.384 -8.023 -2.299 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -5.731 -7.659 -2.241 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -3.657 -8.013 -1.100 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -6.328 -7.305 -1.044 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -4.248 -7.652 0.096 1.00 0.00 C ATOM 1510 CZ TYR A 90 -5.583 -7.299 0.120 1.00 0.00 C ATOM 1511 OH TYR A 90 -6.174 -6.933 1.309 1.00 0.00 O ATOM 0 H TYR A 90 -2.194 -10.378 -2.927 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.940 -10.146 -3.993 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.660 -8.170 -3.572 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.140 -7.764 -4.418 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.318 -7.654 -3.148 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.614 -8.293 -1.111 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -7.373 -7.034 -1.019 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.669 -7.646 1.007 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.514 -6.983 2.032 1.00 0.00 H new ATOM 1521 N ASN A 91 -4.377 -10.062 -6.456 1.00 0.00 N ATOM 1522 CA ASN A 91 -4.140 -10.257 -7.907 1.00 0.00 C ATOM 1523 C ASN A 91 -4.170 -8.895 -8.631 1.00 0.00 C ATOM 1524 O ASN A 91 -4.463 -7.870 -7.996 1.00 0.00 O ATOM 1525 CB ASN A 91 -5.149 -11.208 -8.525 1.00 0.00 C ATOM 1526 CG ASN A 91 -4.996 -12.631 -8.069 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -3.891 -13.090 -7.755 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -6.084 -13.357 -8.108 1.00 0.00 N ATOM 0 H ASN A 91 -5.361 -9.923 -6.228 1.00 0.00 H new ATOM 0 HA ASN A 91 -3.155 -10.709 -8.026 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.155 -10.864 -8.283 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.052 -11.171 -9.610 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -6.044 -14.349 -7.873 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.972 -12.931 -8.373 1.00 0.00 H new ATOM 1535 N ASP A 92 -3.838 -8.890 -9.958 1.00 0.00 N ATOM 1536 CA ASP A 92 -3.841 -7.668 -10.814 1.00 0.00 C ATOM 1537 C ASP A 92 -5.230 -7.010 -10.884 1.00 0.00 C ATOM 1538 O ASP A 92 -5.334 -5.781 -10.950 1.00 0.00 O ATOM 1539 CB ASP A 92 -3.363 -8.003 -12.228 1.00 0.00 C ATOM 1540 CG ASP A 92 -1.869 -8.284 -12.337 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -1.163 -8.008 -11.397 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -1.472 -8.912 -13.289 1.00 0.00 O ATOM 0 H ASP A 92 -3.562 -9.734 -10.460 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.156 -6.957 -10.353 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.911 -8.874 -12.587 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.614 -7.174 -12.889 1.00 0.00 H new ATOM 1547 N SER A 93 -6.281 -7.853 -10.812 1.00 0.00 N ATOM 1548 CA SER A 93 -7.700 -7.421 -10.833 1.00 0.00 C ATOM 1549 C SER A 93 -8.152 -6.785 -9.499 1.00 0.00 C ATOM 1550 O SER A 93 -9.277 -6.286 -9.384 1.00 0.00 O ATOM 1551 CB SER A 93 -8.590 -8.601 -11.170 1.00 0.00 C ATOM 1552 OG SER A 93 -8.575 -9.575 -10.164 1.00 0.00 O ATOM 0 H SER A 93 -6.170 -8.864 -10.737 1.00 0.00 H new ATOM 0 HA SER A 93 -7.790 -6.651 -11.599 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.612 -8.253 -11.322 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.262 -9.046 -12.110 1.00 0.00 H new ATOM 0 HG SER A 93 -9.162 -10.317 -10.419 1.00 0.00 H new ATOM 1558 N ASN A 94 -7.260 -6.806 -8.493 1.00 0.00 N ATOM 1559 CA ASN A 94 -7.520 -6.235 -7.168 1.00 0.00 C ATOM 1560 C ASN A 94 -6.934 -4.824 -7.059 1.00 0.00 C ATOM 1561 O ASN A 94 -7.348 -4.055 -6.198 1.00 0.00 O ATOM 1562 CB ASN A 94 -6.973 -7.119 -6.063 1.00 0.00 C ATOM 1563 CG ASN A 94 -7.636 -8.466 -5.981 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -7.130 -9.462 -6.509 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -8.806 -8.485 -5.393 1.00 0.00 N ATOM 0 H ASN A 94 -6.334 -7.223 -8.581 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.601 -6.175 -7.045 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -5.903 -7.260 -6.218 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.092 -6.607 -5.108 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.344 -9.351 -5.356 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.179 -7.634 -4.972 1.00 0.00 H new ATOM 1572 N VAL A 95 -5.988 -4.471 -7.953 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.215 -3.213 -7.845 1.00 0.00 C ATOM 1574 C VAL A 95 -5.599 -2.257 -8.993 1.00 0.00 C ATOM 1575 O VAL A 95 -5.465 -2.621 -10.162 1.00 0.00 O ATOM 1576 CB VAL A 95 -3.696 -3.469 -7.879 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -2.933 -2.157 -7.776 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -3.287 -4.410 -6.757 1.00 0.00 C ATOM 0 H VAL A 95 -5.739 -5.041 -8.761 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.461 -2.760 -6.885 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.449 -3.940 -8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.862 -2.356 -7.802 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.202 -1.513 -8.613 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.188 -1.661 -6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.211 -4.579 -6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.549 -3.966 -5.796 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.808 -5.361 -6.871 1.00 0.00 H new ATOM 1588 N THR A 96 -6.090 -1.049 -8.651 1.00 0.00 N ATOM 1589 CA THR A 96 -6.425 -0.003 -9.635 1.00 0.00 C ATOM 1590 C THR A 96 -5.662 1.301 -9.295 1.00 0.00 C ATOM 1591 O THR A 96 -5.805 1.832 -8.191 1.00 0.00 O ATOM 1592 CB THR A 96 -7.938 0.282 -9.674 1.00 0.00 C ATOM 1593 OG1 THR A 96 -8.643 -0.913 -10.034 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.249 1.373 -10.688 1.00 0.00 C ATOM 0 H THR A 96 -6.265 -0.772 -7.685 1.00 0.00 H new ATOM 0 HA THR A 96 -6.125 -0.366 -10.618 1.00 0.00 H new ATOM 0 HB THR A 96 -8.255 0.616 -8.686 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.606 -0.731 -10.057 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.323 1.561 -10.702 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.724 2.287 -10.411 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.924 1.053 -11.678 1.00 0.00 H new ATOM 1602 N TRP A 97 -4.836 1.798 -10.234 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.097 3.068 -10.061 1.00 0.00 C ATOM 1604 C TRP A 97 -4.929 4.253 -10.602 1.00 0.00 C ATOM 1605 O TRP A 97 -5.476 4.193 -11.710 1.00 0.00 O ATOM 1606 CB TRP A 97 -2.710 3.005 -10.762 1.00 0.00 C ATOM 1607 CG TRP A 97 -1.618 2.387 -9.908 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -1.223 1.076 -9.872 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -0.785 3.077 -8.953 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -0.208 0.913 -8.961 1.00 0.00 N ATOM 1611 CE2 TRP A 97 0.081 2.128 -8.389 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -0.692 4.409 -8.523 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 1.027 2.464 -7.421 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 0.249 4.745 -7.566 1.00 0.00 C ATOM 1615 CH2 TRP A 97 1.098 3.774 -7.024 1.00 0.00 C ATOM 0 H TRP A 97 -4.661 1.338 -11.127 1.00 0.00 H new ATOM 0 HA TRP A 97 -3.927 3.222 -8.995 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -2.805 2.431 -11.684 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -2.410 4.014 -11.044 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -1.648 0.285 -10.473 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.257 0.031 -8.744 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.347 5.163 -8.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.682 1.717 -6.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.329 5.769 -7.233 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.824 4.062 -6.278 1.00 0.00 H new ATOM 1626 N ASP A 98 -5.004 5.322 -9.796 1.00 0.00 N ATOM 1627 CA ASP A 98 -5.598 6.610 -10.180 1.00 0.00 C ATOM 1628 C ASP A 98 -4.663 7.750 -9.722 1.00 0.00 C ATOM 1629 O ASP A 98 -4.741 8.212 -8.575 1.00 0.00 O ATOM 1630 CB ASP A 98 -6.993 6.776 -9.570 1.00 0.00 C ATOM 1631 CG ASP A 98 -7.714 8.050 -9.987 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -7.132 8.833 -10.699 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -8.888 8.156 -9.725 1.00 0.00 O ATOM 0 H ASP A 98 -4.647 5.315 -8.841 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.710 6.644 -11.264 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.604 5.918 -9.852 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.905 6.762 -8.484 1.00 0.00 H new ATOM 1638 N GLY A 99 -3.745 8.145 -10.625 1.00 0.00 N ATOM 1639 CA GLY A 99 -2.776 9.215 -10.379 1.00 0.00 C ATOM 1640 C GLY A 99 -1.731 8.864 -9.322 1.00 0.00 C ATOM 1641 O GLY A 99 -1.016 7.861 -9.445 1.00 0.00 O ATOM 0 H GLY A 99 -3.660 7.724 -11.550 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.269 9.456 -11.313 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.310 10.112 -10.066 1.00 0.00 H new ATOM 1645 N ASP A 100 -1.667 9.692 -8.272 1.00 0.00 N ATOM 1646 CA ASP A 100 -0.672 9.584 -7.182 1.00 0.00 C ATOM 1647 C ASP A 100 -1.187 8.629 -6.074 1.00 0.00 C ATOM 1648 O ASP A 100 -0.492 8.365 -5.083 1.00 0.00 O ATOM 1649 CB ASP A 100 -0.362 10.963 -6.593 1.00 0.00 C ATOM 1650 CG ASP A 100 -1.540 11.627 -5.892 1.00 0.00 C ATOM 1651 OD1 ASP A 100 -2.592 11.034 -5.851 1.00 0.00 O ATOM 1652 OD2 ASP A 100 -1.338 12.642 -5.269 1.00 0.00 O ATOM 0 H ASP A 100 -2.313 10.471 -8.148 1.00 0.00 H new ATOM 0 HA ASP A 100 0.248 9.174 -7.598 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.459 10.865 -5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.015 11.617 -7.393 1.00 0.00 H new ATOM 1657 N THR A 101 -2.401 8.095 -6.287 1.00 0.00 N ATOM 1658 CA THR A 101 -3.130 7.241 -5.330 1.00 0.00 C ATOM 1659 C THR A 101 -3.570 5.924 -6.006 1.00 0.00 C ATOM 1660 O THR A 101 -4.083 5.939 -7.121 1.00 0.00 O ATOM 1661 CB THR A 101 -4.366 7.958 -4.756 1.00 0.00 C ATOM 1662 OG1 THR A 101 -3.964 9.181 -4.128 1.00 0.00 O ATOM 1663 CG2 THR A 101 -5.069 7.074 -3.736 1.00 0.00 C ATOM 0 H THR A 101 -2.918 8.249 -7.153 1.00 0.00 H new ATOM 0 HA THR A 101 -2.447 7.021 -4.509 1.00 0.00 H new ATOM 0 HB THR A 101 -5.056 8.172 -5.573 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.548 9.769 -4.793 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.940 7.597 -3.341 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.388 6.148 -4.215 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.383 6.843 -2.921 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.345 4.787 -5.325 1.00 0.00 N ATOM 1672 CA VAL A 102 -3.754 3.450 -5.804 1.00 0.00 C ATOM 1673 C VAL A 102 -4.836 2.892 -4.842 1.00 0.00 C ATOM 1674 O VAL A 102 -4.717 2.998 -3.616 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.569 2.470 -5.882 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -1.947 2.277 -4.507 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.018 1.134 -6.455 1.00 0.00 C ATOM 0 H VAL A 102 -2.872 4.767 -4.422 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.149 3.553 -6.815 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.815 2.893 -6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.111 1.581 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.590 3.236 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.694 1.875 -3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.167 0.454 -6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.790 0.705 -5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.419 1.284 -7.457 1.00 0.00 H new ATOM 1687 N THR A 103 -5.920 2.363 -5.413 1.00 0.00 N ATOM 1688 CA THR A 103 -7.018 1.757 -4.653 1.00 0.00 C ATOM 1689 C THR A 103 -7.006 0.233 -4.885 1.00 0.00 C ATOM 1690 O THR A 103 -7.075 -0.228 -6.028 1.00 0.00 O ATOM 1691 CB THR A 103 -8.388 2.333 -5.057 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.438 3.727 -4.726 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.509 1.604 -4.331 1.00 0.00 C ATOM 0 H THR A 103 -6.063 2.342 -6.423 1.00 0.00 H new ATOM 0 HA THR A 103 -6.867 1.985 -3.598 1.00 0.00 H new ATOM 0 HB THR A 103 -8.519 2.201 -6.131 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.504 3.830 -3.754 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.469 2.025 -4.629 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.481 0.545 -4.588 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.381 1.719 -3.255 1.00 0.00 H new ATOM 1701 N VAL A 104 -6.858 -0.536 -3.793 1.00 0.00 N ATOM 1702 CA VAL A 104 -6.810 -2.001 -3.845 1.00 0.00 C ATOM 1703 C VAL A 104 -7.952 -2.576 -2.996 1.00 0.00 C ATOM 1704 O VAL A 104 -8.084 -2.240 -1.818 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.463 -2.554 -3.342 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.453 -4.074 -3.406 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.314 -1.980 -4.158 1.00 0.00 C ATOM 0 H VAL A 104 -6.769 -0.156 -2.851 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.921 -2.303 -4.886 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.334 -2.252 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.494 -4.447 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.253 -4.470 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.605 -4.396 -4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.370 -2.381 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.440 -2.253 -5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.308 -0.894 -4.064 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.770 -3.450 -3.601 1.00 0.00 N ATOM 1718 CA GLU A 105 -9.971 -4.003 -2.959 1.00 0.00 C ATOM 1719 C GLU A 105 -9.852 -5.534 -3.000 1.00 0.00 C ATOM 1720 O GLU A 105 -9.483 -6.101 -4.035 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.251 -3.516 -3.699 1.00 0.00 C ATOM 1722 CG GLU A 105 -12.584 -3.975 -3.060 1.00 0.00 C ATOM 1723 CD GLU A 105 -13.834 -3.507 -3.832 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.987 -2.292 -4.054 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -14.666 -4.348 -4.232 1.00 0.00 O ATOM 0 H GLU A 105 -8.617 -3.793 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.051 -3.665 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.239 -2.427 -3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.216 -3.872 -4.729 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -12.592 -5.063 -2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.636 -3.598 -2.039 1.00 0.00 H new ATOM 1732 N GLY A 106 -10.145 -6.197 -1.870 1.00 0.00 N ATOM 1733 CA GLY A 106 -10.035 -7.655 -1.781 1.00 0.00 C ATOM 1734 C GLY A 106 -10.442 -8.189 -0.425 1.00 0.00 C ATOM 1735 O GLY A 106 -10.770 -7.428 0.481 1.00 0.00 O ATOM 0 H GLY A 106 -10.458 -5.746 -1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.660 -8.110 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -9.007 -7.951 -1.990 1.00 0.00 H new ATOM 1739 N GLN A 107 -10.394 -9.517 -0.289 1.00 0.00 N ATOM 1740 CA GLN A 107 -10.857 -10.229 0.912 1.00 0.00 C ATOM 1741 C GLN A 107 -9.719 -10.468 1.919 1.00 0.00 C ATOM 1742 O GLN A 107 -8.530 -10.519 1.566 1.00 0.00 O ATOM 1743 CB GLN A 107 -11.485 -11.570 0.521 1.00 0.00 C ATOM 1744 CG GLN A 107 -12.745 -11.447 -0.319 1.00 0.00 C ATOM 1745 CD GLN A 107 -13.318 -12.797 -0.705 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -12.785 -13.844 -0.328 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -14.409 -12.780 -1.462 1.00 0.00 N ATOM 0 H GLN A 107 -10.030 -10.136 -1.014 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.602 -9.597 1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -10.750 -12.155 -0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.720 -12.127 1.428 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.494 -10.883 0.236 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.522 -10.879 -1.222 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.816 -11.890 -1.750 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.840 -13.657 -1.755 1.00 0.00 H new